N-Benzylidenebenzylamine

Base Information

• Chemical Name: N-Benzylidenebenzylamine
• CAS No.: 780-25-6
• Molecular Formula: C14H13 N
• Molecular Weight: 195.264
• Hs Code.: 2925290090
• European Community (EC) Number: 212-304-2
• NSC Number: 38821
• UNII: TB6C79ZDV9
• DSSTox Substance ID: DTXSID3061136
• Nikkaji Number: J29.997I,J759.270A
• Mol file: 780-25-6.mol

Synonyms:N-Benzylidenebenzylamine;780-25-6;Benzylidenebenzylamine;Benzylamine, N-benzylidene-;Benzenemethanamine, N-(phenylmethylene)-;N-(Phenylmethylene)benzenemethanamine;(E)-N-Benzylidene-1-phenylmethanamine;N-benzyl-1-phenylmethanimine;Benzaldehyde N-benzylimine;N-Benzylaminebenzaldehyde;(E)-BENZYL(PHENYLMETHYLIDENE)AMINE;EINECS 212-304-2;NSC 38821;NSC-38821;27845-50-7;Phenyl-N-[(E)-phenylmethylidene]methanamine #;NSC38821;MFCD00010006;PhCH=NCH2Ph;Benzylidene-benzylamine;N-benzylidene-N-benzylamine;alpha-benzylideneaminotoluene;TB6C79ZDV9;SCHEMBL77617;SCHEMBL77618;(E)-N-Benzylbenzenemethanimine;DTXSID3061136;(E)-N-Benzyl-1-phenylmethanimine;AKOS015950998;AKOS022173396;AS-47835;Phenyl-N-[(E)-phenylmethylidene]methanamine;FT-0632952;F16328;EN300-1588162;A903932;N-Benzylidenebenzylamine, contains 100 ppm MEHQ as stabilizer, 99%

Chemical Property of N-Benzylidenebenzylamine

Chemical Property:

• Vapor Pressure: 0.00143mmHg at 25°C
• Refractive Index: n20/D 1.6004(lit.)
• Boiling Point: 143-144 °C/5 mmHg(lit.)
• PKA: 4.63±0.50(Predicted)
• Flash Point: 113 °C
• PSA: 12.36000
• Density: 1.038 g/mL at 25 °C(lit.)
• LogP: 3.30570
• Storage Temp.: room temp
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 195.104799419
• Heavy Atom Count: 15
• Complexity: 186

Purity/Quality:

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

N-Benzylidenebenzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CN=CC2=CC=CC=C2
• Uses: Indicator for organolithium assay. N-Benzylidenebenzylamine is an indicator for organolithium assay. Dyes and metabolites.

Technology Process of N-Benzylidenebenzylamine

There total 481 articles about N-Benzylidenebenzylamine 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: 80.0%

benzonitrile (100-47-0) → N-benzylidene benzylamine (780-25-6) + benzylamine (100-46-9)

Guidance literature:

With hydrogen; at 90 ℃; for 22h; under 18751.9 Torr; Reagent/catalyst; Pressure; Temperature; Catalytic behavior; Autoclave; Sealed tube;

DOI:10.1039/c7nj02210g

Reference yield: 80.0%

benzonitrile (100-47-0) → N-benzylidene benzylamine (780-25-6) + benzylamine (100-46-9) + dibenzylamine (103-49-1)

Guidance literature:

With hydrogen; at 90 ℃; for 22h; under 18751.9 Torr; Pressure; Reagent/catalyst; Catalytic behavior; Autoclave; Sealed tube;

DOI:10.1039/c7nj02210g

Reference yield: 75.0%

benzyl alcohol (100-51-6,185532-71-2) → N-benzylidene benzylamine (780-25-6) + benzylamine (100-46-9)

Guidance literature:

With carbonylchlorohydrido(4,5-bis((diisopropylphosphino)methyl)acridine)ruthenium(II); ammonia; In toluene; for 13h; under 5700.38 Torr; Reflux; Inert atmosphere;

DOI:10.1002/anie.200803229

upstream raw materials:

tetrachloromethane

N,N'-bis(dibenzylamino)diazene

N,N-dibenzyl-O-benzoylhydroxylamine

syn-benzaldehyde oxime

Downstream raw materials:

N-(phenylmethyl)-1-phenyl-2-pyridine methanamine

1-benzyl-3,3-dimethyl-4-phenyl-2-azetidinone

3-(benzyl-isobutyryl-amino)-2,2-dimethyl-3-phenyl-propionic acid

1-Phenylmethyl-3-methyl-4-phenylazetidin-2-one

Refernces

• 1、 Khusnutdinov,Baygusina,Aminov. "Synthesis of N-benzylidenebenzylamine from benzylamine under the action of iron-containing catalysts in ccl4". . p. 1059 - 1061. Retrieved 2012.
• 2、 Itoh, Shinobu,Taniguchi, Masato,Fukuzumi, Shunichi. "Catalytic effect of monovalent cations on the amine oxidation by cofactor TTQ of quinoprotein amine dehydrogenases". . p. 329 - 330. Retrieved 2000.
• 3、 Yoshii, Takeharu,Umemoto, Daiki,Yamamoto, Masanori,Kuwahara, Yasutaka,Nishihara, Hirotomo,Mori, Kohsuke,Kyotani, Takashi,Yamashita, Hiromi. "Pyrene-Thiol-modified Pd Nanoparticles on Carbon Support: Kinetic Control by Steric Hinderance and Improved Stability by the Catalyst-Support Interaction". . p. 5880 - 5887. Retrieved 2020.
• 4、 -. "TETRADENTATE DIAMINODIPHOSPHINE LIGAND AND TRANSITION METAL COMPLEX, AND METHOD FOR MANUFACTURING SAME AND APPLICATION FOR SAME". . . Retrieved 2022/03/22.
• 5、 Fan, Xiaomeng,Gao, Jin,Gao, Mingxia,Jia, Xiuquan,Ma, Jiping,Xu, Jie. "Self-regulated catalysis for the selective synthesis of primary amines from carbonyl compounds". supporting information. p. 7115 - 7121. Retrieved 2021/09/28.