Benzenamine, N-2,4,6-cycloheptatrien-1-ylidene-4-methyl-

Base Information

• Chemical Name: Benzenamine, N-2,4,6-cycloheptatrien-1-ylidene-4-methyl-
• CAS No.: 949-68-8
• Molecular Formula: C14H13N
• Molecular Weight: 195.264
• DSSTox Substance ID: DTXSID20472821
• Nikkaji Number: J645.427E
• Mol file: 949-68-8.mol

Synonyms:Benzenamine, N-2,4,6-cycloheptatrien-1-ylidene-4-methyl-;949-68-8;DTXSID20472821

Chemical Property of Benzenamine, N-2,4,6-cycloheptatrien-1-ylidene-4-methyl-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 195.104799419
• Heavy Atom Count: 15
• Complexity: 294

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N=C2C=CC=CC=C2

Technology Process of Benzenamine, N-2,4,6-cycloheptatrien-1-ylidene-4-methyl-

There total 2 articles about Benzenamine, N-2,4,6-cycloheptatrien-1-ylidene-4-methyl- 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:

(1R,2S,5R,6S)-2,5-Dimethyl-3,4-diphenyl-11-[(E)-p-tolylimino]-tricyclo[4.4.1.12,5]dodeca-3,7,9-trien-12-one → N-cycloheptatrienylidene-4-methyl-aniline (949-68-8) + (3aS,9bS)-2,9b-Dimethyl-3,3a-diphenyl-4-p-tolyl-3a,4,5,9b-tetrahydro-cyclohepta[b]cyclopenta[d]pyrrol-1-one

Guidance literature:

In toluene; for 48h; Heating;

DOI:10.1016/S0040-4020(01)87969-2

Reference yield:

→ N-cycloheptatrienylidene-4-methyl-aniline (949-68-8)

Guidance literature:

Tropon, p-Toluidin-hydrochlorid;

Reference yield: 97.0%

C15H12CrO6 + carbon monoxide (201230-82-2) + N-cycloheptatrienylidene-4-methyl-aniline (949-68-8) → BF4(1-)*C25H24NO2(1+)

Guidance literature:

C₁₅H₁₂CrO₆; N-cycloheptatrienylidene-4-methyl-aniline; In tetrahydrofuran; at -50 - 0 ℃; Inert atmosphere;

carbon monoxide; In tetrahydrofuran; at 20 ℃; for 12h; under 760.051 Torr; Inert atmosphere; UV-irradiation;

With trityl tetrafluoroborate; In dichloromethane; Inert atmosphere;

DOI:10.1002/chem.200901257

Downstream raw materials:

phenyl-(3-p-tolyl-3,8a-dihydro-cycloheptathiazol-2-ylidene)-amine

methyl-(3-p-tolyl-3,8a-dihydro-cycloheptathiazol-2-ylidene)-amine

3-p-Tolyl-3,8a-dihydro-cycloheptathiazole-2-thione

3-Phenyl-4-p-tolyl-1-oxa-2,4-diaza-spiro[4.6]undeca-2,6,8,10-tetraene