294659
Hexanoyl chloride
≥98%
Synonym(s):
Caproyl chloride
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About This Item
Linear Formula:
CH3(CH2)4COCl
CAS Number:
Molecular Weight:
134.60
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
205-549-1
Beilstein/REAXYS Number:
506332
MDL number:
Assay:
≥98%
Quality Level
assay
≥98%
refractive index
n20/D 1.426 (lit.)
bp
150-153 °C (lit.)
density
0.963 g/mL at 25 °C (lit.)
functional group
acyl chloride
SMILES string
CCCCCC(Cl)=O
InChI
1S/C6H11ClO/c1-2-3-4-5-6(7)8/h2-5H2,1H3
InChI key
YWGHUJQYGPDNKT-UHFFFAOYSA-N
Application
Hexanoyl chloride has been used in:
- total synthesis of (±)-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one
- asymmetric synthesis of 14-methyl-1-octadecene, the sex pheromone of the peach leafminer moth
- preparation of hexanoyl-coated nanofibers dispersible in several organic solvents
- total synthesis of natural isocarbostyril ruprechstyril (3-n-pentyl-6-methoxy-8-hydroxy-1(2H)-isoquinolinone), isolated from Ruprechtia tangarana
- 5-chloro-8-hydroxy-6-methoxy-3-pentylisocoumarin, the 5-chloro analog of naturally occurring 7-chloro-8-hydroxy-6-methoxy-3-pentylisocoumarin, isolated from Tessmannia densiflora
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signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Flam. Liq. 3 - Skin Corr. 1B
Storage Class
3 - Flammable liquids
wgk
WGK 1
flash_point_f
122.0 °F - closed cup
flash_point_c
50 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Tao Zhang et al.
Molecules (Basel, Switzerland), 18(5), 5201-5208 (2013-05-09)
An asymmetric synthesis of 14-methyl-1-octadecene, the sex pheromone of the peach leafminer moth has been achieved. The target molecule was synthesized in six linear steps and in 30.3% overall yield from commercially available hexanoyl chloride, (S)-4-benzyloxazolidin-2-one and 1,9-nonanediol. The hexanoyl
Aamer Saeed
Journal of Asian natural products research, 13(6), 505-511 (2011-05-31)
The synthesis of title isocoumarin, the 5-chloro analog of naturally occurring 7-chloro-8-hydroxy-6-methoxy-3-pentylisocoumarin, isolated from Tessmannia densiflora is described. Chlorination of ethyl 2-(2-ethoxy-2-oxoethyl)-4,6-dimethoxybenzoate (2) afforded 3-chloro ester (3) followed by hydrolysis to furnish the 2-(carboxymethyl)-3-chloro-4,6-dimethoxybenzoic acid (4) that was converted to
Aamer Saeed
Natural product research, 27(13), 1153-1158 (2012-08-14)
A short total synthesis of natural isocarbostyril ruprechstyril (3-n-pentyl-6-methoxy-8-hydroxy-1(2H)-isoquinolinone) isolated from Ruprechtia tangarana is reported. 6,8-Dimethoxy-3-pentylisocoumarin obtained by condensation of 3,5-dimethoxyhomophthalic anhydride with hexanoyl chloride was smoothly converted to O-methylruprechstyril by refluxing with methanamide. Regioselective demethylation of the latter using
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 294659-100ML | 04061836684006 |
| 294659-25ML | 04061826601358 |