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方案
98%
表单
liquid
折射率
n20/D 1.508 (lit.)
沸点
45 °C/10.1 mmHg (lit.)
密度
1.069 g/mL at 25 °C (lit.)
SMILES字符串
CSC1CCCCC1=O
InChI
1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChI key
QFABNUVNDKOIEH-UHFFFAOYSA-N
一般描述
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.
应用
2-(Methylthio)cyclohexanone may be used as a ketone substrate for the synthesis of cyclic nitrones, by reacting with aspergillusol A.
警示用语:
Warning
危险声明
危险分类
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
靶器官
Respiratory system
储存分类代码
10 - Combustible liquids
WGK
WGK 3
闪点(°F)
192.2 °F - closed cup
闪点(°C)
89 °C - closed cup
个人防护装备
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Axial/equatorial proportions for 2-substituted cyclohexanones.
Basso EA, et al.
The Journal of Organic Chemistry, 58(27), 7865-7869 (1993)
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)
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)
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