CAS No.28659-87-2,S-2--Bromo -4-methylvaleric acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	28659-87-2
Name:	S-2--Bromo -4-methylvaleric acid
Article Data:	45

Formula:	C₆H₁₁BrO₂
Molecular Weight:	195.056
Synonyms:	Pentanoicacid, 2-bromo-4-methyl-, (S)-;Valeric acid, 2-bromo-4-methyl-, (S)- (8CI);(S)-2-Bromo-4-methylpentanoic acid;L-a-Bromo-g-methylvaleric acid;L-a-Bromoisocaproic acid;S-2-Bromo-4-methylvaleric acid;
Density:	1.432 g/cm³
Boiling Point:	240.5 °C at 760 mmHg
Flash Point:	99.3 °C
PSA:	37.30000
LogP:	1.88060

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Specification

The Pentanoic acid,2-bromo-4-methyl-, (2S)-, with the CAS registry number 28659-87-2, is also known as S-2-Bromo-4-methylvaleric acid. This chemical's molecular formula is C₆H₁₁BrO₂ and molecular weight is 195.05. What's more, its systematic name is (2S)-2-Bromo-4-methylpentanoic acid.

Physical properties of Pentanoic acid,2-bromo-4-methyl-, (2S)- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.28; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 37.3 Å²; (11)Index of Refraction: 1.485; (12)Molar Refractivity: 39.05 cm³; (13)Molar Volume: 136.1 cm³; (14)Polarizability: 15.48×10^-24cm³; (15)Surface Tension: 38.7 dyne/cm; (16)Density: 1.432 g/cm³; (17)Flash Point: 99.3 °C; (18)Enthalpy of Vaporization: 52.58 kJ/mol; (19)Boiling Point: 240.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0126 mmHg at 25°C.

Preparation: this chemical can be prepared by L-leucine at the ambient temperature. This reaction will need reagents KBr, aq. H₂SO₄ and NaNO₂ with the reaction time of 3 hours.

Pentanoic acid,2-bromo-4-methyl-, (2S)- can be prepared by L-leucine at the ambient temperature

Uses of Pentanoic acid,2-bromo-4-methyl-, (2S)-: it can be used to produce (S)-2-thioacetyl-4-methylpentanoic acid at room temperature. It will need reagent conc. aq. KOH and solvent ethanol with the reaction time of 3 hours. The yield is about 64%

Pentanoic acid,2-bromo-4-methyl-, (2S)- can be used to produce (S)-2-thioacetyl-4-methylpentanoic acid at room temperature

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C[C@H](Br)C(O)=O
(2)InChI: InChI=1/C6H11BrO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m0/s1
(3)InChIKey: NNFDHJQLIFECSR-YFKPBYRVSA-N