Calcium beta-hydroxy-beta-methylbutyrate

Calcium beta-hydroxy-beta-methylbutyrate

CAS No.: 135236-72-5
Chemical Name: Calcium beta-hydroxy-beta-methylbutyrate
Synonyms: b-hydroxy-b-methylbutyrate calcium salt;BETA-HYDROXY-BETA-METHYL BUTYRATE CALCIUM SALT;BETA-HYDROXYISOVALERIC ACID CALCIUM SALT HYDRATE;CALCIUM 3-HYDROXY-3-METHYL BUTYRATE;CALCIUM 3-HYDROXY-3-METHYLBUTYRATE MONOHYDRATE;CALCIUM BETA-HYDROXY-BETA-METHYL BUTYRATE;calcium b-hydroxy-b-methylbutyrate;calcium b-hydroxy-b-methyl-butyrate
Molecular: C10H18CaO6
Formula Weight: 274.32
IUPAC name

Calcium 3-hydroxy-3-methylbutyrate

Other names

Calcium β-hydroxy-β-methylbutyrate, Calcium HMB, 3-Hydroxy-3-methylbutyric acid calcium salt

Identifiers
CAS number 135236-72-5 Yes
Properties
Molecular formula C10H18CaO6.H2O or C10H20CaO7
Molar mass 292.34 [g/mol]
Appearance white powder
Solubility in water soluble
 Yes (verify) (what is: Yes/?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Calcium β-hydroxy-β-methylbutyrate orcalcium HMB is a nutritional supplement, which represents a calcium salt of beta-hydroxy beta-methylbutyrate (HMB). The latter is a leucine metabolite produced in the body through oxidation of the ketoacid of leucine (ketoisocaproate, KIC). Because leucine plays an important regulatory role in protein metabolism and due to the conversion of leucine to KIC, several researchers [1][2] have presumed that KIC was the active ingredient responsible for most of the beneficial effects of leucine on protein metabolism. In addition to its effects on protein metabolism, some studies demonstrated a major role for added leucine and leucine metabolites (HMB, β-hydroxy butyrate – BHB, β-hydroxy methyl glutarate – HMG) in modulating the immunocompetence cells, especially of lymphocyte activity.[3]According to the results, the only direct leucine metabolite to affect lymphocyte blastogenesis was HMB.[4]


Peroxyoxalates 5796-84-9


CAS No.: 5796-84-9
Chemical Name: peroxyoxalate
Synonyms: peroxyoxalate;Diperoxyoxalic acid

Peroxyoxalates are esters initially formed by the reaction of hydrogen peroxide with oxalate diesters or oxalyl chloride, with or without base, although the reaction is much faster with base: General Reaction Forming Peroxyoxalate

Peroxyoxalates are intermediates that will rapidly transform into 1,2-dioxetanedione, another high-energy intermediate. The likely mechanism of 1,2-dioxetanedione formation from peroxyoxalate in base is illustrated below:

Mechanism of 1,2-Dioxetanedione Generation

1,2-Dioxetanedione will rapidly decompose into carbon dioxide (CO2). If there is no fluorescer present, only heat will be released. However, in the presence of a fluorescer, light can be generated (chemiluminescence).

Peroxyoxalate chemiluminescence (CL) was first reported by Rauhut in 1967 [1] in the reaction of diphenyl oxalate. The emission is generated by the reaction of an oxalate ester with hydrogen peroxide in the presence of a suitably fluorescent energy acceptor. This reaction is used in glow sticks.

glowsticks using peroxyoxalate CL

The three most widely used oxalates are bis(2,4,6-trichlorophenyl)oxalate (TCPO), Bis(2,4,5-trichlorophenyl-6-carbopentoxyphenyl)oxalate (CPPO) and bis(2,4-dinitrophenyl) oxalate (DNPO). Otheraryl oxalates have been synthesized and evaluated with respect to their possible analytical applications [2]. Divanillyl oxalate, a more eco-friendly or “green” oxalate for chemiluminescence, decomposes into the nontoxic, biodegradable compound vanillin and works in nontoxic, biodegradable triacetin [16] . Peroxyoxalate CL is an example of indirect or sensitized chemiluminescence in which the energy from an excited intermediate is transferred to a suitable fluorescent molecule, which relaxes to the ground state by emitting a photon. Rauhut and co-workers have reported that the intermediate responsible for providing the energy of excitation is 1,2-dioxetanedione [1,3]. The peroxyoxalate reaction is able to excite many different compounds, having emissions spanning the visible and infrared regions of the spectrum [3,4], and the reaction can supply up to 440 kJ mol-1, corresponding to excitation at 272 nm [5]. It has been found, however, that the chemiluminescence intensity corrected for quantum yield decreases as the singlet excitation energy of the fluorescent molecule increases [6]. There is also a linear relationship between the corrected chemiluminescence intensity and the oxidation potential of the molecule [6]. This suggests the possibility of an electron transfer step in the mechanism, as demonstrated in several other chemiluminescence systems [7-10]. It has been postulated that a transient charge transfer complex is formed between the intermediate 1,2-dioxetanedione and the fluorescer [11], and a modified mechanism was proposed involving the transfer of an electron from the fluorescer to the reactive intermediate [12]. The emission of light is thought to result from the annihilation of the fluorescer radical cation with the carbon dioxide radical anion formed when the 1,2-dioxetanedione decomposes [13]. This process is called chemically-induced electron exchange luminescence (CIEEL).

Mechanism of chemiluminescence from electron transfer from 1,2-dioxetanedione to a fluorescer

Chemiluminescent reactions are widely used in analytical chemistry

Phosphoryl bromide 778-59-5

Phosphoryl bromide
Other names

Phosphorus oxybromide

Identifiers
CAS number 778-59-5
Properties
Molecular formula POBr3
Molar mass 286.69 g/mol
Density 2.82 g cm-3
Melting point 56 °C, 329 K, 133 °F
Boiling point 192 °C, 465 K, 378 °F
Hazards
EU classification Corrosive C
R-phrases R14R34R37
S-phrases S7/8, {S26S36/37/39,S43S45
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Phosphoryl bromide, also known asphosphorus oxybromide, is an inorganic compound with the formula POBr3.

 

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Mordant Brown 33

Mordant Brown 33
Preferred IUPAC name

Mordant brown 33

Systematic name

Sodium 2,4-diamino-5-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazin-1-yl]benzene-1-sulfonate

Other names

Chrome Brown RH
Sodium 2,4-diamino-5-[2-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazin-1-yl]benzenesulfonate

Identifiers
Abbreviations MB33
PubChem 24186234 Yes, 9575826 (1EYes,5483143 (1ZYes
ChemSpider 7850278 (1E) Yes, 4588144 (1ZYes
Jmol-3D images Image 1
SMILES
  • [Na+].O=C2/C=C\C(=C/C2=N\Nc1cc(c(N)cc1N)S([O-])(=O)=O)[N+]([O-])=O

     

     

     

InChI
  • InChI=1S/C12H11N5O6S.Na/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-5,15H,13-14H2,(H,21,22,23);/q;+1/p-1 
    Key: CKWUOVPZRGZTSZ-UHFFFAOYSA-M 


    InChI=1S/C12H11N5O6S.Na/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-5,15H,13-14H2,(H,21,22,23);/q;+1/p-1/b16-10+;


    InChI=1S/C12H11N5O6S.Na/c13-7-4-8(14)12(24(21,22)23)5-9(7)15-16-10-3-6(17(19)20)1-2-11(10)18;/h1-5,15H,13-14H2,(H,21,22,23);/q;+1/p-1/b16-10+;
    Key: CKWUOVPZRGZTSZ-QFHYWFJHSA-M

Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Mordant brown 33 (MB33) is 2,4-diamino-5-(2-hydroxy-5-nitrophenylazo) benzene sulfonic acid sodium salt.

The UV-Visible spectra of MB33 in all mixtures investigated display three absorption bands in 50% ethanol within all the pH ranges 1.5-13.3 using Thiel buffer the maximum absorption of these bands is located at 438, 453 and a double head band at 410 and 475 nm . The band at 438 nm corresponds to absorption attributed to the cationic form (LH6) of MB33 (whereas L indicates to the parent structure of ligand without hydrogen protons) and disappears at pH > 3.0. The band at 453 nm corresponds to the absorption of the neutral form of the reagent (LH5-). The double head bands at 410 and 475 nm correspond to the di-anionic (LH42-) of MB33

Iron(II) oxalate 516-03-0

Iron(II) oxalate
Other names

Iron oxalate

Identifiers
CAS number 516-03-0 Yes
PubChem 10589
EC number 208-217-4
Properties
Molecular formula FeC2O4
Molar mass 143.91 g/mol
Appearance yellow powder
Odor odorless
Density 2.28 g/cm3 (dihydrate)
Melting point 150-160 °C, decomp (dihydrate)
Solubility in water slightly soluble
 Yes (verify) (what is: Yes/?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Ferrous oxalate, or iron(II) oxalate, is a chemical compound consisting of one iron(II) ion (Fe2+) and one oxalate ion (C2O42−). It has the chemical formula FeC2O4.

Iron(II) oxalate is more commonly encountered as the dihydrate, FeC2O4·2H2O, CAS # 6047-25-2. Its crystal structure consists of chains of oxalate-bridged iron atoms, capped by water molecules.[1]

Ball-and-stick model of a chain in the crystal structure of iron(II) oxalate dihydrate

When heated, it dehydrates and decomposes into carbon dioxide, carbon monoxide, iron oxides and pyrophoric black iron.

Octane-1,8-diol 629-41-4

Octane-1,8-diol
Other names

1,8-Octanediol
Octamethylene glycol
1,8-Dihydroxyoctane

Identifiers
CAS number 629-41-4
PubChem 69420
EC number 214-254-7
Jmol-3D images Image 1
SMILES
  • OCCCCCCCCO

     

     

     

Properties
Molecular formula C8H18O2
Molar mass 146.23 g mol−1
Appearance White solid
Melting point 57-61 °C, 330-334 K, 135-142 °F
Boiling point 172 °C (at 20 mmHg)
Hazards
MSDS GFS Chemicals, Inc. MSDS
S-phrases S24/25
NFPA 704
NFPA 704.svg
0
1
0
Flash point 148 °C
 Yes (verify) (what is: Yes/?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Octane-1,8-diol, also known asoctamethylene glycol, is a diol with the molecular formula HO(CH2)8OH. Octane-1,8-diol is a white crystalline solid at room temperature and pressure.

Octane-1,8-diol is used as a monomer in the synthesis of some polymers such as polyesters and polyurethanes. It has bacteriostatic and bacteriocidal properties which make it a useful preservative. It is also used in coating materials, slurries, paper mills and water circulation systems for the effective preservation against bacteria and fungi.[1]

As with other fatty alcohols, octane-1,8-diol is used in cosmetics as an emollient and humectant.

1,4-Dibromobenzene 106-37-6

1,4-Dibromobenzene
IUPAC name

1,4-Dibromobenzene

Other names

p-Dibromobenzene

Identifiers
CAS number 106-37-6 Yes
ChemSpider 13868640 Yes
UNII 9991W3M5HZ Yes
ChEBI CHEBI:37150
ChEMBL CHEMBL195407
Jmol-3D images Image 1
SMILES
  • Brc1ccc(Br)cc1

     

     

     

InChI
  • InChI=1S/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H Yes
    Key: SWJPEBQEEAHIGZ-UHFFFAOYSA-N Yes


    InChI=1/C6H4Br2/c7-5-1-2-6(8)4-3-5/h1-4H
    Key: SWJPEBQEEAHIGZ-UHFFFAOYAE

Properties
Molecular formula C6H4Br2
Molar mass 235.9 g mol−1
Appearance White crystalline powder
Density 1.84 g/cm3[1]
Melting point 87 °C, 360 K, 189 °F ([2])
Boiling point 220.4 °C, 494 K, 429 °F ([2])
Solubility in water Insoluble
 Yes (verify) (what is: Yes/?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

1,4-Dibromobenzene (p-dibromobenzene) is an organic compound that is solid at room temperature. This compound has two bromine atoms (bromo substituents) off the central benzene ring.

4-hydroxycyclophosphamide 40277-05-2

4-Hydroxycyclophosphamide is the main, active metabolite of cyclophosphamide
Systematic (IUPAC) name
2-[Bis(2-chloroethyl)amino]-4-hydroxy-2H1,3,2-oxazaphosphinan-2-one
Clinical data
Pregnancy cat.  ?
Legal status  ?
Identifiers
CAS number 40277-05-2 
ATC code  ?
ChEMBL CHEMBL731 
Chemical data
Formula H15Cl2N2O3P 
SMILES
  • OC1CCOP(=O)(N1)N(CCCl)CCCl
InChI
  • InChI=InChI=1S/C7H15Cl2N2O3P/c8-2-4-11(5-3-9)15(13)10-7(12)1-6-14-15/h7,12H,1-6H2,(H,10,13) 
    Key:RANONBLIHMVXAJ-UHFFFAOYSA-N 
  (what is this?)  (verify)

4-Hydroxycyclophosphamide is the main, active metabolite of cyclophosphamide.[1][2]

Chloroethylnorapomorphine 75946-94-0

Chloroethylnorapomorphine

CAS No.: 75946-94-0
Chemical Name: chloroethylnorapomorphine
Synonyms: chloroethylnorapomorphine
IUPAC name

6-(2-Chloro-ethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

Other names

(-)-N-(2-Chloroethyl)-norapomorphine

Identifiers
CAS number 75946-94-0 
PubChem 156376
ChemSpider 137707 Yes
ChEMBL CHEMBL283871 Yes
Jmol-3D images Image 1
SMILES
  • C1CN([C@@H]2CC3=C(C4=C2C1=CC=C4)C(=C(C=C3)O)O)CCCl

     

     

     

InChI
  • InChI=1S/C18H18ClNO2/c19-7-9-20-8-6-11-2-1-3-13-16(11)14(20)10-12-4-5-15(21)18(22)17(12)13/h1-5,14,21-22H,6-10H2/t14-/m1/s1 Yes
    Key: RMKWDBUEXHJPRZ-CQSZACIVSA-N Yes
Properties
Molecular formula C18H18ClNO2
Molar mass 315.79 g/mol
  (verify) (what is: Yes/?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Chloroethylnorapomorphine is a chemical once thought to be an irreversible dopamine D2 receptor antagonist;[1][2] however, it was later proved to be reversible.[3]

4-Bromoaniline 106-40-1

4-Bromoaniline[1]
IUPAC name

4-bromoaniline

Other names

p-bromoaniline, 4-bromobenzenamine, p-bromophenylamine

Identifiers
CAS number 106-40-1 Yes
ChemSpider 7519 Yes
EC number 203-393-9
ChEMBL CHEMBL57376 Yes
Jmol-3D images Image 1
SMILES
  • Brc1ccc(N)cc1

     

     

     

InChI
  • InChI=1S/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2 Yes
    Key: WDFQBORIUYODSI-UHFFFAOYSA-N Yes


    InChI=1/C6H6BrN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2
    Key: WDFQBORIUYODSI-UHFFFAOYAG

Properties
Molecular formula C6H6BrN
Molar mass 172.02 g mol−1
Density 1.5 g/cm3
Melting point 60-64 °C
Solubility in water <0.1 g/100 mL at 23 °C
Hazards
MSDS External MSDS
R-phrases R20/21/22 R36/37/38
S-phrases S26 S36/37/39
 Yes (verify) (what is: Yes/?)
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

4-Bromoaniline is a compound where an aniline molecule is substituted with a bromine atom. Commercially available, this compound may be used as a building block, e.g. in the preparation of p-bromobiphenyl via the Gomberg-Bachmann reaction