5748-22-1

Basic information

• Product Name: tert-butyl (1S,2S,5R)-5-chloro-2-methyl-cyclohexane-1-carboxylate
• Synonyms: tert-butyl (1S,2S,5R)-5-chloro-2-methyl-cyclohexane-1-carboxylate
• CAS NO: 5748-22-1
• Molecular Formula: C12H21ClO2
• Molecular Weight: 232.7469
• Mol File: 5748-22-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 284.2°C at 760 mmHg
• Flash Point: 127.3°C
• Appearance: /
• Density: 1.03g/cm³
• Vapor Pressure: 0.00302mmHg at 25°C
• Refractive Index: 1.464
• CAS DataBase Reference: tert-butyl (1S,2S,5R)-5-chloro-2-methyl-cyclohexane-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl (1S,2S,5R)-5-chloro-2-methyl-cyclohexane-1-carboxylate(5748-22-1)
• EPA Substance Registry System: tert-butyl (1S,2S,5R)-5-chloro-2-methyl-cyclohexane-1-carboxylate(5748-22-1)

Safety Data

• Hazardous Substances Data: 5748-22-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H21ClO2/c1-8-5-6-9(13)7-10(8)11(14)15-12(2,3)4/h8-10H,5-7H2,1-4H3/t8-,9+,10-/m0/s1

Upstream product

• 92344-71-3 (-)-(1R,6R)-6-methyl-3-cyclohexenecarboxylic acid 
• 75-65-0 tert-butyl alcohol 
• 92344-77-9 1R,6R-(+)-6-Methyl-3-cyclohexenyl-methanol 
• 92284-36-1 (1S,6S)-6-Methyl-cyclohex-3-enecarbonyl chloride 
• 92284-47-4 (1R,6R)-6-Methyl-cyclohex-3-enecarboxylic acid ((R)-1-phenyl-ethyl)-amide 
• 92284-49-6 (1R,6R)-6-Methyl-cyclohex-3-enecarboxylic acid (2-hydroxy-ethyl)-((R)-1-phenyl-ethyl)-amide 
• 92284-53-2 (1R,6R)-6-Methyl-cyclohex-3-enecarboxylic acid 2-((R)-1-phenyl-ethylamino)-ethyl ester 
• 92344-70-2 (1S,6S)-(+)-6-Methyl-3-cyclohexenecarboxylic Acid 
• 92344-78-0 1S,6S-(-)-6-Methyl-3-cyclohexenyl-methanol 
• 92284-47-4 (1R,6R)-6-Methyl-cyclohex-3-enecarboxylic acid ((S)-1-phenyl-ethyl)-amide 
• 92344-76-8 (1R,6R)-6-Methyl-cyclohex-3-enecarboxylic acid (2-hydroxy-ethyl)-((S)-1-phenyl-ethyl)-amide 
• 92344-80-4 (1S,6S)-6-Methyl-cyclohex-3-enecarboxylic acid 2-((S)-1-phenyl-ethylamino)-ethyl ester 
• 5406-30-4 (1RS,6RS)-6-methyl-3-cyclohexene-1-carboxylic acid 
• 115-11-7 isobutene 

Downstream Products

• 5933-65-3 tert-butyl (RS)-6-methyl-cyclohex-1-ene-carboxylate 
• 5726-56-7 6-methylcyclohex-1-ene-1-carboxylic acid 
• 5933-66-4 2-Methyl-bicyclo<3,1,0>hexan-1-carbonsaeure-tert.-butylester 
• 5933-61-9 trans-6-Methyl-cyclohex-3-en-carbonsaeure-tert-butylester 

Relevant articles and documents

13C and 1H chemical shift assignments and conformation confirmation of trimedlure-Y via 2-D NMR

The conformation of 1,1-dimethylethyl 5-chloro-cis-2-methylcyclohexane-1-carboxylate (trimedlure-Y) was confirmed as 1,2,5 equatorial, axial, equatorial via 13C, 1H, APT, CSCM and COSY NMR analyses.The carbon and proton nuclei in trimedlure-Y and the previously unassigned eight cyclohexyl protons (1.50-2.60 ppm) in 1,1-dimethylethyl 5-chloro-trans-2-methylcyclohexane-1-carboxylate (trimedlure-B1; 1,2,5 equatorial, equatorial, equatorial) were also characterized by these methods.The effects of the 2-CH3 in the axial or equatorial conformation upon the chemical shifts of the other nuclei in the molecule are discussed.