2-((Dimethylamino)methyl)cyclohexanone

Base Information

• Chemical Name: 2-((Dimethylamino)methyl)cyclohexanone
• CAS No.: 15409-60-6
• Molecular Formula: C₉H₁₇NO
• Molecular Weight: 155.24
• Hs Code.: 2914.22
• European Community (EC) Number: 239-422-7
• NSC Number: 222825
• UNII: 2K361MJ2WZ
• DSSTox Substance ID: DTXSID801283556
• Nikkaji Number: J122.128K
• Wikidata: Q27254848
• ChEMBL ID: CHEMBL1617601
• Mol file: 15409-60-6.mol

Synonyms:15409-60-6;2-((Dimethylamino)methyl)cyclohexanone;2-[(dimethylamino)methyl]cyclohexan-1-one;2-[(Dimethylamino)methyl]cyclohexanone;2-((Dimethylamino)methyl)cyclohexan-1-one;Cyclohexanone, 2-[(dimethylamino)methyl]-;2-(N,N-Dimethylaminomethyl)cyclohexanone;2-Dimethylamino methyl cyclohexanone;UNII-2K361MJ2WZ;Cyclohexanone,2-[(dimethylamino)methyl]-;2K361MJ2WZ;2-dimethylaminomethylcyclohexanone;2-((Dimethylamino)methyl)cyclohexanone, (2RS)-;EINECS 239-422-7;2-(Bismethyl)aminomethylcyclohexanone;NSC-222825;2-Dimethylaminomethyl-cyclohexanone;Cyclohexanone, 2-((dimethylamino)methyl)-;(2rs)-2-((dimethylamino)methyl)cyclohexanone;2-Dimethylaminomethyl-cyclohexanone hydrochloride;2-Dimethylamino methylcyclohexanone;Tramadol impurity E;Enamine_005705;SCHEMBL3146259;CHEMBL1617601;DTXSID801283556;HMS1410D07;N,N-dimethylaminomethylcyclohexanone;AMY23638;2-(Dimethylaminomethyl)cyclohexanone;2-(dimethylaminomethyl)-cyclohexanone;MFCD00019457;NSC222825;STK791101;AKOS001015415;AKOS016050357;AB93244;NSC 222825;2-(dimethylaminomethyl)-1-cyclohexanone;IDI1_007940;NCGC00246455-01;AS-40797;2-[(dimethylamino)methyl]-1-cyclohexanone;BB 0218340;CS-0151293;FT-0663396;(+/-) 2-((dimethylamino)methyl)cyclohexanone;(+/-)-2-((dimethylamino)methyl)cyclohexanone;(+/-) 2-((dimethylamino)methyl) cyclohexanone;EN300-1255769;A883753;SR-01000390594;SR-01000390594-1;Q27254848;TRAMADOL HYDROCHLORIDE IMPURITY E [EP IMPURITY];Z56770961;(2RS)-2-(DIMETHYL AMINOMETHYL)CYCLOHEXAN-1-ONE

Chemical Property of 2-((Dimethylamino)methyl)cyclohexanone

Chemical Property:

• Appearance/Colour: colorless transparent liquid
• Vapor Pressure: 0.05mmHg at 25°C
• Melting Point: 148-150 °C
• Refractive Index: 1.606
• Boiling Point: 222.3 °C at 760 mmHg
• PKA: 8.83±0.28(Predicted)
• Flash Point: 70.2 °C
• PSA: 20.31000
• Density: 0.944 g/cm³
• LogP: 1.30730
• Storage Temp.: 2-8°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 155.131014166
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99.9% ^*data from raw suppliers

2-(Bismethyl)aminomethylcyclohexanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CC1CCCCC1=O
• Uses: 2-(Bismethyl)aminomethylcyclohexanone is an intermediate in the synthesis of O-Desmethyl Tramadol Hydrochloride (D294750), an optically active metabolite of Tramadol.

Technology Process of 2-((Dimethylamino)methyl)cyclohexanone

There total 1 articles about 2-((Dimethylamino)methyl)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:

(S)-2-methoxymethylpyrrolidine cyclohexanone enamine (83976-41-4) + N,N-dimethylmethyleneammonium tetrachloroaluminate (30931-91-0) → 2-(Dimethylaminomethyl)-1-cyclohexanon (15409-60-6,61229-39-8,138060-83-0) + 2-(Dimethylaminomethyl)-1-cyclohexanon (138060-83-0)

Guidance literature:

In tetrahydrofuran; at -70 ℃; for 1h; Yield given. Title compound not separated from byproducts;

upstream raw materials:

(S)-2-methoxymethylpyrrolidine cyclohexanone enamine

N,N-dimethylmethyleneammonium tetrachloroaluminate

Refernces