157147

Sigma-Aldrich

Valeroyl chloride

98%

Fórmula lineal:
CH3(CH2)3COCl
Número de CAS:
Peso molecular:
120.58
Beilstein/REAXYS Number:
506293
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

98%

refractive index

n20/D 1.42 (lit.)

bp

125-127 °C (lit.)

density

1.016 g/mL at 25 °C (lit.)

SMILES string

CCCCC(Cl)=O

InChI

1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3

InChI key

XGISHOFUAFNYQF-UHFFFAOYSA-N

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Application

Valeroyl chloride was used in the enantioselective synthesis of propylisopropyl acetamide (PID), an amide analog of the major antiepileptic drug valproic acid. It was also used in the synthesis of (4R, 5S-4-methyl-3-(1-oxopentyl)-5-phenyl-oxazolidinone.

Packaging

25, 100 g in glass bottle

signalword

Danger

hazcat

Acute Tox. 3 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 3 - Met. Corr. 1 - Skin Corr. 1A

storage_class_code

3 - Flammable liquids

WGK Germany

WGK 1

Flash Point F

89.6 °F - closed cup

Flash Point C

32 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificado de Análisis

Certificado de origen

R S Hauck et al.
Pharmaceutical research, 9(7), 850-855 (1992-07-01)
The teratogenic activities of R(+)- and S(-)-2-n-propyl-4-pentynoic acid (R and S-4-yn-VPA), the enantiomers of the highly teratogenic valproic acid (VPA) analogues (+/-)-4-yn-VPA, were investigated in mice. The enantiomers were prepared via asymmetric synthesis, each in three steps employing the chiral...
O Spiegelstein et al.
Chirality, 11(8), 645-650 (1999-09-01)
Propylisopropyl acetamide (PID), an amide analogue of the major antiepileptic drug valproic acid (VPA), possesses favorable anticonvulsant and CNS properties. PID contains one chiral carbon atom and therefore exists in two enantiomeric forms. The purpose of this work was to...
Janclei P Coutinho et al.
Talanta, 134, 256-263 (2015-01-27)
In this work a multivariate statistical tool (Derringer and Suich optimization) was proposed for the separation of seventeen capsinoids (natural and synthetic) using the UHPLC-DAD chromatography. Capsinoids were analyzed at 280 nm. The variables optimized were the mobile phase (water...

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