425206
2-(甲硫基)环己酮
98%
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关于此项目
线性分子式:
CH3SC6H9(=O)
化学文摘社编号:
分子量:
144.23
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
98%
Form:
liquid
assay
98%
form
liquid
refractive index
n20/D 1.508 (lit.)
bp
45 °C/10.1 mmHg (lit.)
density
1.069 g/mL at 25 °C (lit.)
SMILES string
CSC1CCCCC1=O
InChI
1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChI key
QFABNUVNDKOIEH-UHFFFAOYSA-N
General description
2-(Methylthio)cyclohexanone is a 2-substituted cyclohexanone. The proportion of axial and equatorial conformation has been measured in chloroform by the Eliel method. It suggests that the in chloroform steric effect dominates over polar effect in contributing to the conformational preference. The stereoselectivity of the reduction of 2-(methylthio)cyclohexanone using different hydrides has been studied.
Application
2-(Methylthio)cyclohexanone may be used as a ketone substrate for the synthesis of cyclic nitrones, by reacting with aspergillusol A.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
192.2 °F - closed cup
flash_point_c
89 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
法规信息
新产品
此项目有
Axial/equatorial proportions for 2-substituted cyclohexanones.
Basso EA, et al.
The Journal of Organic Chemistry, 58(27), 7865-7869 (1993)
Nitrone formation in phosphate buffer and aqueous solutions: novel chemistry inspired by a natural product.
Pansanit A, et al.
Tetrahedron Letters, 53(16), 2129-2131 (2012)
Studies on the stereoselectivity of hydride reductions on 2-(methylthio)-and 2-(methylsulfonyl) cyclohexanones.
Carmen CM, et al.
The Journal of Organic Chemistry, 52(16), 3619-3625 (1987)