157147
Valeroyl chloride
98%
Synonym(s):
Pentanoic acid chloride, n-Butanecarbonyl chloride, n-Pentanoyl chloride, n-Valeryl chloride
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About This Item
Linear Formula:
CH3(CH2)3COCl
CAS Number:
Molecular Weight:
120.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
211-330-1
Beilstein/REAXYS Number:
506293
MDL number:
Assay:
98%
Form:
liquid
Quality Level
assay
98%
form
liquid
refractive index
n20/D 1.42 (lit.)
bp
125-127 °C (lit.)
density
1.016 g/mL at 25 °C (lit.)
functional group
acyl chloride
SMILES string
CCCCC(Cl)=O
InChI
1S/C5H9ClO/c1-2-3-4-5(6)7/h2-4H2,1H3
InChI key
XGISHOFUAFNYQF-UHFFFAOYSA-N
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.
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flash_point_f
89.6 °F - closed cup
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Flam. Liq. 3 - Met. Corr. 1 - Skin Corr. 1A
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_c
32 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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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
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
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
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 157147-25G | 04061838743190 |
| 157147-100G | 04061838743183 |