Benzenemethanamine, N-[(2-chlorophenyl)methylene]-, (E)-

Base Information

• Chemical Name: Benzenemethanamine, N-[(2-chlorophenyl)methylene]-, (E)-
• CAS No.: 126190-77-0
• Molecular Formula: C14H12ClN
• Molecular Weight: 229.709
• DSSTox Substance ID: DTXSID30465461
• Nikkaji Number: J1.433.098D
• Mol file: 126190-77-0.mol

Synonyms:126190-77-0;Benzenemethanamine, N-[(2-chlorophenyl)methylene]-, (E)-;SCHEMBL11977406;DTXSID30465461

Chemical Property of Benzenemethanamine, N-[(2-chlorophenyl)methylene]-, (E)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 229.0658271
• Heavy Atom Count: 16
• Complexity: 221

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: C1=CC=C(C=C1)CN=CC2=CC=CC=C2Cl

Technology Process of Benzenemethanamine, N-[(2-chlorophenyl)methylene]-, (E)-

There total 1 articles about Benzenemethanamine, N-[(2-chlorophenyl)methylene]-, (E)- 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: 93.0%

2-chloro-benzaldehyde (89-98-5) + benzylamine (100-46-9) → (E)-N-(2-chlorobenzylidene)-1-phenylmethanamine (126190-77-0)

Guidance literature:

In neat (no solvent); at 60 ℃; for 0.0666667h; Microwave irradiation;

DOI:10.1016/j.bmc.2019.115210

Reference yield: 93.0%

{(1E)-3-[(trimethylsilyl)oxy]buta-1,3-dien-1-yl}benzene (73400-25-6,124306-12-3,61140-47-4) + (E)-N-(2-chlorobenzylidene)-1-phenylmethanamine (126190-77-0) → 5-benzylamino-5-(2-chlorophenyl)-1-phenyl-1-penten-3-one

Guidance literature:

With water; zinc trifluoromethanesulfonate; In dichloromethane; at 20 ℃; for 5h;

DOI:10.1021/jo0011888

Reference yield: 86.0%

Acetyl cyanide (631-57-2) + (E)-N-(2-chlorobenzylidene)-1-phenylmethanamine (126190-77-0) → C17H15N2OCl

Guidance literature:

With chiral 1,2-diaminocyclohexane based reagent; In toluene; at -40 ℃;

DOI:10.1002/anie.200603630

upstream raw materials:

2-chloro-benzaldehyde

benzylamine

Downstream raw materials:

C₁₇H₁₅ClN₂O

2-((trifluoromethyl)thio)benzaldehyde

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