N-(4-Phenylbenzylidene)benzylamine

Base Information

• Chemical Name: N-(4-Phenylbenzylidene)benzylamine
• CAS No.: 118578-71-5
• Molecular Formula: C20H17N
• Molecular Weight: 271.36
• European Community (EC) Number: 626-451-9
• DSSTox Substance ID: DTXSID20399943
• Nikkaji Number: J2.270.997F
• Mol file: 118578-71-5.mol

Synonyms:N-(4-Phenylbenzylidene)benzylamine;118578-71-5;N-benzyl-1-(4-phenylphenyl)methanimine;N-(4-Biphenylylmethylene)benzylamine;SCHEMBL8543783;Benzenemethanamine, N-([1,1'-biphenyl]-4-ylmethylene)-;DTXSID20399943;MFCD00192390;AKOS025294143;benzyl[(4-phenylphenyl)methylidene]amine;N-(4-Phenylbenzylidene)benzylamine,97%;N-(Biphenyl-4-ylmethylene)benzenemethaneamine;J-003849;N-(4-Phenylbenzylidene)benzylamine, >=98.0% (GC)

Chemical Property of N-(4-Phenylbenzylidene)benzylamine

Chemical Property:

• Melting Point: 58-61 °C
• Boiling Point: 422.9±34.0 °C(Predicted)
• PKA: 4.60±0.50(Predicted)
• PSA: 12.36000
• Density: 0.99±0.1 g/cm3(Predicted)
• LogP: 4.97270
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 271.136099547
• Heavy Atom Count: 21
• Complexity: 302

Purity/Quality:

98%,99%, ^*data from raw suppliers

N-(4-Phenylbenzylidene)benzylamine ≥98.0% (GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN=CC2=CC=C(C=C2)C3=CC=CC=C3

Technology Process of N-(4-Phenylbenzylidene)benzylamine

There total 3 articles about N-(4-Phenylbenzylidene)benzylamine 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: 90.0%

4-Phenylbenzaldehyde (3218-36-8) + benzylamine (100-46-9) → 1-(biphenyl-4-yl)-3-phenyl-2-azapropene (118578-71-5)

Guidance literature:

In toluene; at 20 ℃; for 1h;

DOI:10.1016/j.jorganchem.2005.09.011

Reference yield:

4-cyano-1,1'-biphenyl (2920-38-9) → 1-(biphenyl-4-yl)-3-phenyl-2-azapropene (118578-71-5)

Guidance literature:

Multi-step reaction with 2 steps

1: SnCl₂; HCl; diethyl ether / Erwaermen des Reaktionsprodukts mit H₂O

With hydrogenchloride; diethyl ether; tin(ll) chloride;

DOI:10.1039/jr9330000037

Reference yield:

benzylidene-(4-phenyl-benzyl)-amine + sodium ethanolate (141-52-6) → 1-(biphenyl-4-yl)-3-phenyl-2-azapropene (118578-71-5)

Guidance literature:

at 82 ℃; Geschwindigkeit der Isomerisierung;

DOI:10.1039/jr9330000037

upstream raw materials:

sodium ethanolate

4-Phenylbenzaldehyde

benzylamine

4-cyano-1,1'-biphenyl

Downstream raw materials:

biphenyl-4-carbaldehyde-(4-nitro-phenylhydrazone)

Refernces

• 1、 Crespo, Margarita,Font-Bardía, Mercè,Solans, Xavier. "Synthesis, reactivity and crystal structures of platinum (II) and platinum (IV) cyclometallated compounds derived from 2- and 4-biphenylimines". . p. 444 - 454. Retrieved 2007/10/03.
• 2、 Creswell, Mark W.,Bolton, Gary L.,Hodges, John C.,Meppen, Malte. "Combinatorial synthesis of dihydropyridone libraries and their derivatives". . p. 3983 - 3998. Retrieved 2007/10/03.