1-Chloro-2-isopropyl-5-methylcyclohexane

Base Information

• Chemical Name: 1-Chloro-2-isopropyl-5-methylcyclohexane
• CAS No.: 28953-96-0
• Molecular Formula: C10H19 Cl
• Molecular Weight: 174.714
• Hs Code.: 2903890090
• European Community (EC) Number: 249-326-7
• UNII: WMY5AJ4LCF
• DSSTox Substance ID: DTXSID90951572
• Nikkaji Number: J286.489D
• Mol file: 28953-96-0.mol

Synonyms:menthyl chloride;1-Chloro-2-isopropyl-5-methylcyclohexane;28953-96-0;WMY5AJ4LCF;2-Chloro-4-methyl-1-(1-methylethyl)cyclohexane;EINECS 240-200-7;EINECS 249-326-7;Cyclohexane, 2-chloro-4-methyl-1-(1-methylethyl)-, [1S-(1.alpha.,2.beta.,4.beta.)]-;Cyclohexane, 2-chloro-4-methyl-1-(1-methylethyl)-;(1S-(1alpha,2beta,4beta))-2-Chloro-1-isopropyl-4-methylcyclohexane;C10H19Cl;[1S-(1alpha,2beta,4beta)]-2-chloro-1-isopropyl-4-methylcyclohexane;l-Menthyl chloride;DARAMONOL;p-Menth-3-yl chloride;UNII-WMY5AJ4LCF;2-chloro-4-methyl-1-propan-2-ylcyclohexane;SCHEMBL662498;DTXSID90951572;Cyclohexane, 2-chloro-4-methyl-1-(1-methylethyl)-, (1.alpha.,2.beta.,4.beta.)-;Cyclohexane, 2-chloro-4-methyl-1-(1-methylethyl)-, (1S-(1alpha,2beta,4beta))-;NSC 55430;AKOS009156896;SB44874;2-isopropyl-5-methylcyclohexyl chloride;2-Chloro-1-isopropyl-4-methylcyclohexane #;FT-0604400;2-Chloro-4-methyl-1-(propan-2-yl)cyclohexane;p-Menthane, 3-chloro-, (1R,3R,4S)-(-)-

Chemical Property of 1-Chloro-2-isopropyl-5-methylcyclohexane

Chemical Property:

• Boiling Point: 216.1°Cat760mmHg
• Flash Point: 78.9°C
• PSA: 0.00000
• Density: 0.92g/cm³
• LogP: 3.68600
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 174.1175283
• Heavy Atom Count: 11
• Complexity: 120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC(C(C1)Cl)C(C)C

Technology Process of 1-Chloro-2-isopropyl-5-methylcyclohexane

There total 10 articles about 1-Chloro-2-isopropyl-5-methylcyclohexane 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: 96.0%

(1S,2R,5S)-(+)-menthol (15356-60-2) → (+)-(1S,2S,5R)-menthyl chloride (13371-12-5,16052-42-9,26348-39-0,28953-96-0,29707-60-6,80483-49-4,80483-50-7,104012-59-1,65494-15-7)

Guidance literature:

With Me₂SeCl₂; triphenylphosphine; In benzene; for 24h; Ambient temperature;

DOI:10.1021/jo981324x

Reference yield: 93.0%

2-((1R,2S,5R)-2-Isopropyl-5-methyl-cyclohexyloxysulfonyl)-benzoic acid 2-(2-methoxy-ethoxy)-ethyl ester → 2-chloro-1-isopropyl-4-methyl-cyclohexane (28953-96-0)

Guidance literature:

With titanium tetrachloride; In dichloromethane; at -78 ℃;

DOI:10.1021/jo052333q

Reference yield: 91.0%

(-)-menthol (2216-51-5) → 2-chloro-1-isopropyl-4-methyl-cyclohexane (28953-96-0)

Guidance literature:

With hydrogenchloride; zinc(II) chloride; In water; at 35 ℃; for 5h;

upstream raw materials:

menthol

(-)-menthol

hydrogenchloride

p-menthan-3-yl-hydrazine

Downstream raw materials:

2-isopropyl-5-methyl-cyclohexanecarbonitrile

Menthane

menthanecarboxylic acid

3-(p'-Isopropylbenzyl)-p-menthan

Refernces

• 1、 -. "Production method of polar group-containing olefin polymers". Page/Page column 20; 21. . Retrieved 2016/12/16.
• 2、 Lepore, Salvatore D.,Bhunia, Anjan K.,Mondal, Deboprosad,Cohn, Pamela C.,Lefkowitz, Craig. "Rapid conversion of hindered arylsulfonates to alkyl chlorides with retention of configuration". . p. 3285 - 3286. Retrieved 2007/10/03.