3-Chloro-1,1-dimethylcyclohexane

Base Information

• Chemical Name: 3-Chloro-1,1-dimethylcyclohexane
• CAS No.: 35188-27-3
• Molecular Formula: C8H15Cl
• Molecular Weight: 146.65800
• DSSTox Substance ID: DTXSID00577222
• Nikkaji Number: J416.876C
• Mol file: 35188-27-3.mol

Synonyms:3-chloro-1,1-dimethylcyclohexane;35188-27-3;1-Chloro-3,3-dimethylcyclohexane;SCHEMBL2760774;DTXSID00577222;AKOS013793867

Chemical Property of 3-Chloro-1,1-dimethylcyclohexane

Chemical Property:

• Boiling Point: 70 °C(Press: 24 Torr)
• PSA: 0.00000
• Density: 0.954 g/cm3(Temp: 25 °C)
• LogP: 3.19400
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 146.0862282
• Heavy Atom Count: 9
• Complexity: 96.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCCC(C1)Cl)C

Technology Process of 3-Chloro-1,1-dimethylcyclohexane

There total 8 articles about 3-Chloro-1,1-dimethylcyclohexane 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: 30.0%

3,3-dimethylcyclohexanol (767-12-4) → 3,3-Dimethylcyclohexyl chloride (35188-27-3)

Guidance literature:

With sodium hydroxide; chloroform; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; for 2h;

Reference yield:

(+)-3,3-Dimethyl-cyclohexanol (767-12-4,49817-47-2,49817-54-1) → (-)-3-chloro-1,1-dimethyl-cyclohexane (35188-27-3)

Guidance literature:

With chloroform; phosphorus pentachloride; calcium carbonate;

DOI:10.1021/ja01591a066

Reference yield:

3,3-dimethylcyclohexanol (767-12-4) → 3,3-Dimethylcyclohexyl chloride (35188-27-3)

Guidance literature:

With chloroform; phosphorus pentachloride; calcium carbonate;

DOI:10.1021/ja01591a066

upstream raw materials:

3,3-dimethylcyclohexanol

3,3-dimethylcyclohexyl chloroformate

dimedone

(+)-3,3-Dimethyl-cyclohexanol

Downstream raw materials:

(+/-)-<1-Chlor-3,3-dimethyl-cyclohexyl>-<4-dimethylamino-phenyl>-keton

<3,3-Dimethyl-cyclohexyl>-<4-dimethylamino-phenyl>-keton

1-Chlor-3,3-dimethyl-cyclohexan-1-carbonsaeure-anilid

3,3-Dimethyl-cyclohexan-1-carbonsaeure-anilid

Refernces

• 1、 Schneider, Hans-Joerg,Buchheit, Ulrich,Hoppen, Volker,Schmidt, Guenther. "13C- and 1H-NMR Shielding Effects in Aliphatic gauche/trans Fragments". . p. 321 - 326. Retrieved 2007/10/02.