Cyclohexanemethanamine, N,N-bis(cyclohexylmethyl)-

Base Information

• Chemical Name: Cyclohexanemethanamine, N,N-bis(cyclohexylmethyl)-
• CAS No.: 3218-01-7
• Molecular Formula: C21H39N
• Molecular Weight: 305.547
• DSSTox Substance ID: DTXSID10396865
• Nikkaji Number: J2.794.195H
• Wikidata: Q82197800
• Mol file: 3218-01-7.mol

Synonyms:Tris(cyclohexylmethyl)amine;Cyclohexanemethanamine, N,N-bis(cyclohexylmethyl)-;SCHEMBL5512680;DTXSID10396865;3218-01-7

Chemical Property of Cyclohexanemethanamine, N,N-bis(cyclohexylmethyl)-

Chemical Property:

• XLogP3: 7.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 305.308250248
• Heavy Atom Count: 22
• Complexity: 235

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)CN(CC2CCCCC2)CC3CCCCC3

Technology Process of Cyclohexanemethanamine, N,N-bis(cyclohexylmethyl)-

There total 7 articles about Cyclohexanemethanamine, N,N-bis(cyclohexylmethyl)- 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: 97.0%

cyclohexylmethyl alcohol (100-49-2) → tris-(cyclohexylmethyl)-amine (3218-01-7)

Guidance literature:

With urea; In 1,3,5-trimethyl-benzene; at 141 ℃; for 24h; under 760.051 Torr; Inert atmosphere;

DOI:10.1002/chem.201000149

Reference yield: 93.0%

cyclohexane carbonitrile (766-05-2) → tris-(cyclohexylmethyl)-amine (3218-01-7) + N,N-dicyclohexylmethylamine (3309-27-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In cyclohexane; at 25 ℃; for 24h; under 760.051 Torr; Temperature;

DOI:10.1021/acs.joc.7b01823

Reference yield: 74.0%

carbon monoxide (201230-82-2) + cyclohexene (110-83-8) → tris-(cyclohexylmethyl)-amine (3218-01-7)

Guidance literature:

With acetic acid; urea; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In methanol; at 100 ℃; for 48h; under 60004.8 Torr;

DOI:10.1039/b513348c

upstream raw materials:

carbon monoxide

cyclohexene

cyclohexylmagnesiumchloride

tris(benzotriazol-1-ylmethyl)amine

Refernces

• 1、 Muratov, Karim,Afanasyev, Oleg I.,Kuchuk, Ekaterina,Runikhina, Sofiya,Chusov, Denis. "One-Pot Synthesis of Symmetrical Tertiary and Secondary Amines from Carbonyl Compounds, Ammonium Carbonate and Carbon Monoxide as a Reductant". supporting information. p. 6557 - 6560. Retrieved 2019/10/22.
• 2、 Wu, Lipeng,Fleischer, Ivana,Zhang, Min,Liu, Qiang,Franke, Robert,Jackstell, Ralf,Beller, Matthias. "Using aqueous ammonia in hydroaminomethylation reactions: Ruthenium-catalyzed synthesis of tertiary amines". . p. 3260 - 3263. Retrieved 2015/03/03.