Benzenemethanamine, N-2-cyclohexen-1-yl-

Base Information

• Chemical Name: Benzenemethanamine, N-2-cyclohexen-1-yl-
• CAS No.: 141330-12-3
• Molecular Formula: C13H17N
• Molecular Weight: 187.285
• DSSTox Substance ID: DTXSID30435609
• Nikkaji Number: J1.887.013D,J452.836K
• Mol file: 141330-12-3.mol

Synonyms:Benzenemethanamine, N-2-cyclohexen-1-yl-;N-benzylcyclohex-2-en-1-amine;141330-12-3;2-Cyclohexenylbenzylamine;SCHEMBL8926256;DTXSID30435609;(E)-N-Benzyl-2-cyclohexene-1-amine

Chemical Property of Benzenemethanamine, N-2-cyclohexen-1-yl-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 187.136099547
• Heavy Atom Count: 14
• Complexity: 180

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC=CC(C1)NCC2=CC=CC=C2

Technology Process of Benzenemethanamine, N-2-cyclohexen-1-yl-

There total 18 articles about Benzenemethanamine, N-2-cyclohexen-1-yl- 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: 100.0%

rac-3-bromocyclohexene (1521-51-3,113667-32-6) + benzylamine (100-46-9) → N-benzyl-N-(2-cyclohexenyl)amine (141330-12-3)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 2h; Inert atmosphere;

DOI:10.1021/ol300605y

Reference yield: 94.0%

Cyclohex-2-enol (822-67-3) + benzylamine (100-46-9) → N-benzyl-N-(2-cyclohexenyl)amine (141330-12-3)

Guidance literature:

With titanium(IV) isopropylate; 1,1'-bis-(diphenylphosphino)ferrocene; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In toluene; acetonitrile; at 20 ℃; for 12h; Glovebox; Sealed tube; Inert atmosphere;

DOI:10.1021/acs.joc.8b01474

Reference yield: 93.0%

cyclohexa-1,3-diene (1165952-91-9) + benzylamine (100-46-9) → N-benzyl-N-(2-cyclohexenyl)amine (141330-12-3)

Guidance literature:

With 1,1'-bis-(diphenylphosphino)ferrocene; trifluoroacetic acid; bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; In toluene; at 20 ℃; for 6h;

DOI:10.1021/ja017575w

upstream raw materials:

3-amino-1-cyclohexene

benzaldehyde

N-allyl-N-benzyl-N-(2-cyclohexen-1-yl)amine

rac-3-bromocyclohexene

Downstream raw materials:

N-benzyl-2,2,2-trichloro-N-(2-cyclohex-2-enyl)acetamide

N-benzyl-2-chloro-N-(cyclohex-2-enyl)acetamide

N-benzyl-N-(2-cyclohexen-1-yl)-N-(2-propynyl)amine

Benzyl-cyclohex-2-enyl-((E)-penta-2,4-dienyl)-amine