2-(Dimethylamino)cyclohexanone

Base Information

• Chemical Name: 2-(Dimethylamino)cyclohexanone
• CAS No.: 6970-60-1
• Molecular Formula: C8H15NO
• Molecular Weight: 141.213
• Hs Code.: 2922399090
• European Community (EC) Number: 846-667-9
• NSC Number: 62030
• UNII: GS2KC4HG9G
• DSSTox Substance ID: DTXSID101020888
• Nikkaji Number: J83.308H
• Mol file: 6970-60-1.mol

Synonyms:2-(Dimethylamino)cyclohexanone;2-(dimethylamino)cyclohexan-1-one;6970-60-1;Cyclohexanone, 2-(dimethylamino)-;dimethylaminocyclohexanone;2-(N,N-Dimethylamino)cyclohexanone;GS2KC4HG9G;NSC-62030;NSC62030;UNII-GS2KC4HG9G;SCHEMBL5796362;2-(Dimethylamino)-cyclohexanone;DTXSID101020888;NSC 62030;AKOS004122962;CS-0242258;EN300-246581;AE-641/00191050;Z447865324

Chemical Property of 2-(Dimethylamino)cyclohexanone

Chemical Property:

• Vapor Pressure: 0.166mmHg at 25°C
• Boiling Point: 213.3°C at 760 mmHg
• Flash Point: 71°C
• PSA: 20.31000
• Density: 0.96g/cm³
• LogP: 1.05970
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 141.115364102
• Heavy Atom Count: 10
• Complexity: 131

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)C1CCCCC1=O

Technology Process of 2-(Dimethylamino)cyclohexanone

There total 9 articles about 2-(Dimethylamino)cyclohexanone 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: 53.0%

2-bromocyclohexanone (1056477-06-5,822-85-5) + dimethyl amine (124-40-3) → 2-N,N-dimethylaminocyclohexanone (6970-60-1)

Guidance literature:

In water; at 135 ℃;

DOI:10.1016/S0022-2860(03)00367-3

Reference yield: 48.0%

trans-2-(N,N-dimethylamino)cyclohexanol (21651-78-5,15910-74-4) → 2-N,N-dimethylaminocyclohexanone (6970-60-1)

Guidance literature:

trans-2-(N,N-dimethylamino)cyclohexanol; With oxalyl dichloride; In dichloromethane; dimethyl sulfoxide; at -78 ℃; for 0.416667h; Inert atmosphere;

With triethylamine; In dichloromethane; dimethyl sulfoxide; at -78 - 20 ℃; for 1.5h; Inert atmosphere;

DOI:10.1016/j.tet.2018.03.066

Reference yield:

2-dimethylamino-1-cyclohexanol (30727-29-8,15910-74-4) → 2-N,N-dimethylaminocyclohexanone (6970-60-1)

Guidance literature:

With oxalyl dichloride; triethylamine; In dichloromethane; dimethyl sulfoxide; at 20 ℃; for 2.5h;

DOI:10.1002/anie.200702491

upstream raw materials:

(1,2-epoxy-cyclohexyl)-dimethyl-amine

dimethyl amine

2-Chlorocyclohexanone

cis-(+/-)-2-(dimethylamino)cyclohexanol

Downstream raw materials:

(1S,2R)-2-(dimethylamino)cyclohexanol

cis-2-(Methylamino)-1-(1-phenylethenyl)cyclohexanol

2-dimethylamino-1-cyclohexanol

cis-2-(Dimethylamino)-1-(1-phenylethenyl)cyclohexanol

Refernces

• 1、 Bocca, Cleverson C.,Rittner, Roberto,H?ehr, Nelci F.,Pinheiro, Glaucia M.S.,Abiko, Layara A.,Basso, Ernani A.. "Molecular modeling and biological evaluation of 2-N,N- dimethylaminecyclohexyl 1-N′,N′-dimethylcarbamate isomers and their methylsulfate salts as cholinesterases inhibitors". scheme or table. p. 194 - 199. Retrieved 2011/01/06.
• 2、 Oliveira, Paulo R.,Wiectzycosky, Franciele,Basso, Ernani A.,Gon?alves, Regina A.C.,Pontes, Rodrigo M.. "Structural characterization of two novel potential anticholinesterasic agents". . p. 191 - 198. Retrieved 2007/10/03.