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2-(4-Chlorophenyl)-3-methylbutyric acid

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Company Name: Qingdao Helino Chemical Co. LTD  Gold
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2-(4-Chlorophenyl)-3-methylbutyric acid manufacturers

2-(4-Chlorophenyl)-3-methylbutyric acid Basic information
Product Name:2-(4-Chlorophenyl)-3-methylbutyric acid
Synonyms:TIMTEC-BB SBB008321;2-(p-chlorophenyl)-3-methyl-butyricaci;4-chloro-a-(1-methylethyl)benzeneaceticacid;4-chloro-alpha-(1-methylethyl)-benzeneaceticaci;alpha-(p-Chlorophenyl)isovaleric acid;Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-;Butyric acid, 2-(p-chlorophenyl)-3-methyl-;FENVALERATE FREE ACID METABOLITE
CAS:2012-74-0
MF:C11H13ClO2
MW:212.67
EINECS:217-934-1
Product Categories:C11 to C12;Carbonyl Compounds;Carboxylic Acids
Mol File:2012-74-0.mol
2-(4-Chlorophenyl)-3-methylbutyric acid Structure
2-(4-Chlorophenyl)-3-methylbutyric acid Chemical Properties
Melting point 87-91 °C(lit.)
Boiling point 318.7±17.0 °C(Predicted)
density 1.184±0.06 g/cm3(Predicted)
Fp >230 °F
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (slightly), DMSO (Slightly)
form powder to crystal
pka4.13±0.10(Predicted)
color White to Orange to Green
InChI1S/C11H13ClO2/c1-7(2)10(11(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3,(H,13,14)
InChIKeyVTJMSIIXXKNIDJ-UHFFFAOYSA-N
SMILESCC(C)C(C(O)=O)c1ccc(Cl)cc1
CAS DataBase Reference2012-74-0(CAS DataBase Reference)
EPA Substance Registry SystemBenzeneacetic acid, 4-chloro-.alpha.-(1-methylethyl)- (2012-74-0)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
RTECS ES8450000
TSCA TSCA listed
HS Code 2916399090
Storage Class11 - Combustible Solids
Hazard ClassificationsEye Irrit. 2
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
SigmaAldrich English
2-(4-Chlorophenyl)-3-methylbutyric acid Usage And Synthesis
Uses2-(4-Chlorophenyl)-3-methylbutanoic Acid can be used for the multi-residue analysis of organic pollutants in hair and urine for matrices composition.
DefinitionChEBI: A monocarboxylic acid consisting of isovaleric acid having a 4-chlorophenyl group at the 2-position.
Synthesis
4-Chlorophenylacetic acid

1878-66-6

2-Chloropropane

75-29-6

2-(4-Chlorophenyl)-3-methylbutyric acid

2012-74-0

To a xylene dispersion of fine potassium hydroxide with a particle size of less than 100 μm (26 g, 0.33 mol) prepared by the method of Example 1, 50 ml of a xylene solution of isopropyl chloride (37.5 g, 0.22 mol) was added. The mixed solution was added dropwise in about 10 minutes, followed by a continuous reaction at 70°C to 80°C for 50 minutes. Upon completion of the reaction, the reaction mixture was poured into 300 ml of water and the aqueous and organic layers were separated. The organic layer was concentrated and xylene was removed by distillation and finally subjected to reduced pressure distillation to give 43 g of α-isopropyl-4-chlorophenylacetic acid (91% yield, melting point 88°-89°C).

References[1] Patent: US4307034, 1981, A
Tag:2-(4-Chlorophenyl)-3-methylbutyric acid(2012-74-0) Related Product Information
4-Chlorobenzaldehyde Benzeneacetic acid, 4-chloro-α-(1-methylethyl)-, cyano(4-phenoxyphenyl)methyl ester, (R*,S*)- Esfenvalerate free acid metabolite (S)-2-(4'-Chlorophenyl)-2-(2''-oxocyclohexyl)glycolic acid ethyl ester Isovaleric acid 4-Chlorophenylacetic acid Esfenvalerate 2-(4-Chlorophenyl)-3-methylbutyric acid VALERATE Fenvalerate