425206
2-(Methylthio)cyclohexanone
98%
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About This Item
Linear Formula:
CH3SC6H9(=O)
CAS Number:
Molecular Weight:
144.23
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
98%
Form:
liquid
InChI
1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
SMILES string
CSC1CCCCC1=O
InChI key
QFABNUVNDKOIEH-UHFFFAOYSA-N
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.)
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.
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Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
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
Regulatory Information
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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)
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)
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