Cyclohexanecarboxylic acid, 5-chloro-2-methyl-, 1,1-dimethylethyl ester, (1alpha,2beta,5beta)-

Base Information Edit

Chemical Name:Cyclohexanecarboxylic acid, 5-chloro-2-methyl-, 1,1-dimethylethyl ester, (1alpha,2beta,5beta)-
CAS No.:5748-22-1
Molecular Formula:C12H21ClO2
Molecular Weight:232.7469
Hs Code.:
DSSTox Substance ID:DTXSID90206094
Mol file:5748-22-1.mol

Synonyms:Cyclohexanecarboxylic acid, 5-chloro-2-methyl-, 1,1-dimethylethyl ester, (1alpha,2beta,5beta)-;tert-butyl (1S,2S,5R)-5-chloro-2-methylcyclohexane-1-carboxylate;5748-22-1;DTXSID90206094

Suppliers and Price of Cyclohexanecarboxylic acid, 5-chloro-2-methyl-, 1,1-dimethylethyl ester, (1alpha,2beta,5beta)-

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 3 raw suppliers

Chemical Property of Cyclohexanecarboxylic acid, 5-chloro-2-methyl-, 1,1-dimethylethyl ester, (1alpha,2beta,5beta)- Edit

Chemical Property:

Vapor Pressure:0.00302mmHg at 25°C
Boiling Point:284.2°C at 760 mmHg
Flash Point:127.3°C
PSA：26.30000
Density:1.03g/cm³
LogP:3.37170
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:232.1230076
Heavy Atom Count:15
Complexity:232

Purity/Quality:: 99%, ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1CCC(CC1C(=O)OC(C)(C)C)Cl
Isomeric SMILES:C[C@H]1CC[C@H](C[C@@H]1C(=O)OC(C)(C)C)Cl

Technology Process of Cyclohexanecarboxylic acid, 5-chloro-2-methyl-, 1,1-dimethylethyl ester, (1alpha,2beta,5beta)-

There total 14 articles about Cyclohexanecarboxylic acid, 5-chloro-2-methyl-, 1,1-dimethylethyl ester, (1alpha,2beta,5beta)- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 92284-36-1
(1S,6S)-6-Methyl-cyclohex-3-enecarbonyl chloride

: 92344-64-4,5748-20-9,5748-22-1
(1S,2S,5R)-5-Chloro-2-methyl-cyclohexanecarboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: Et₃N / CH₂Cl₂ / 0 °C

2: 1) LDA 2) HMPT / 1) THF, 0 deg C 2) 25 deg C, 16h

3: HCl / tetrahydrofuran / 6 h / Heating

4: 40 percent / LAH / tetrahydrofuran / 16 h / Heating

5: 71 percent / Jones reagent

With hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; lithium aluminium tetrahydride; jones reagent; triethylamine; lithium diisopropyl amide; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jo00198a012

Reference yield:

: 92284-36-1
(1S,6S)-6-Methyl-cyclohex-3-enecarbonyl chloride

: 92344-63-3,5748-20-9,5748-22-1
5t-Chlor-2t-methyl-cyclohexan-1r-carbonsaeure-tert-butylester

Guidance literature:: Multi-step reaction with 6 steps

2: 1) LDA 2) HMPT / 1) THF, 0 deg C 2) 25 deg C, 16h

3: HCl / tetrahydrofuran / 6 h / Heating

4: 40 percent / LAH / tetrahydrofuran / 16 h / Heating

5: 71 percent / Jones reagent

With hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; lithium aluminium tetrahydride; jones reagent; lithium diisopropyl amide; In tetrahydrofuran;
DOI:10.1021/jo00198a012

Reference yield:

: 92284-47-4
(1R,6R)-6-Methyl-cyclohex-3-enecarboxylic acid ((S)-1-phenyl-ethyl)-amide

: 92344-64-4,5748-20-9,5748-22-1
(1S,2S,5R)-5-Chloro-2-methyl-cyclohexanecarboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 1) LDA 2) HMPT / 1) THF, 0 deg C 2) 25 deg C, 16h

2: HCl / tetrahydrofuran / 6 h / Heating

3: 40 percent / LAH / tetrahydrofuran / 16 h / Heating

4: 71 percent / Jones reagent

With hydrogenchloride; N,N,N,N,N,N-hexamethylphosphoric triamide; lithium aluminium tetrahydride; jones reagent; lithium diisopropyl amide; In tetrahydrofuran;
DOI:10.1021/jo00198a012