N-(Cyclohex-3-en-1-yl)aniline

Base Information

• Chemical Name: N-(Cyclohex-3-en-1-yl)aniline
• CAS No.: 68234-27-5
• Molecular Formula: C₁₂H₁₅N
• Molecular Weight: 173.258
• DSSTox Substance ID: DTXSID00602280
• Nikkaji Number: J2.305.771I

Synonyms:68234-27-5;N-(Cyclohex-3-en-1-yl)aniline;phenyl 3-cyclohexenyl amine;SCHEMBL2644657;DTXSID00602280;USJHTKGBBPCQGF-UHFFFAOYSA-N

Chemical Property of N-(Cyclohex-3-en-1-yl)aniline

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 173.120449483
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CC=C1)NC2=CC=CC=C2

Technology Process of N-(Cyclohex-3-en-1-yl)aniline

There total 7 articles about N-(Cyclohex-3-en-1-yl)aniline 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: 35.0%

cyclohexa-1,3-diene (1165952-91-9) + aniline (62-53-3) → 2-cyclohex-3-enyl-phenylamine + 1′,2′,3′,6′-tetrahydro-[1,1′-biphenyl]-2-amine (68234-27-5)

Guidance literature:

With bismuth(lll) trifluoromethanesulfonate; at 25 ℃; for 70h; Autoclave;

DOI:10.1021/acs.joc.1c02197

Reference yield:

cyclohexa-1,3-diene (1165952-91-9) + aniline (62-53-3) → di-(cyclohex-2-enyl)phenylamine + N-(1-Cyclohexen-1-yl)benzolamin (10592-26-4) + 1′,2′,3′,6′-tetrahydro-[1,1′-biphenyl]-2-amine (68234-27-5) + 3-anilinocyclohexene (52034-22-7)

Guidance literature:

With zeolite H-BEA; In toluene; at 111 ℃; Title compound not separated from byproducts;

DOI:10.1016/j.jcat.2006.01.007

Reference yield:

3-Phenyl-2-oxa-3-azabicyclo<2.2.2>oct-5-ene (10437-90-8) → 1′,2′,3′,6′-tetrahydro-[1,1′-biphenyl]-2-amine (68234-27-5)

Guidance literature:

With diiron nonacarbonyl;

DOI:10.1016/0040-4020(78)88121-6

upstream raw materials:

3-Phenyl-2-oxa-3-azabicyclo<2.2.2>oct-5-ene

N,O-bis(trimethylsily1)phenylhydroxylamine

cyclohexene

cyclohexa-1,3-diene

Downstream raw materials:

3-anilinocyclohexene

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