N-BENZYL-2-PHENYLETHYLAMINE

Base Information

• Chemical Name: N-BENZYL-2-PHENYLETHYLAMINE
• CAS No.: 3647-71-0
• Molecular Formula: C15H17 N
• Molecular Weight: 211.307
• Hs Code.: 2921499090
• European Community (EC) Number: 222-882-8
• NSC Number: 62943
• UNII: 90J4SPI061
• DSSTox Substance ID: DTXSID20189982
• Nikkaji Number: J150.076G
• Wikidata: Q27123270
• Metabolomics Workbench ID: 58127
• ChEMBL ID: CHEMBL1618762
• Mol file: 3647-71-0.mol

Synonyms:Phenethylamine,N-benzyl- (6CI,7CI); Benethamine; Benzylphenethylamine;N-(Phenylmethyl)benzeneethanamine; N-Benzyl-2-phenethylamine;N-Benzyl-2-phenylethylamine; N-Benzyl-N-(2-phenylethyl)amine;N-Benzylbenzeneethanamine; N-Benzylphenethylamine; N-Phenethylbenzylamine; NSC62943

Chemical Property of N-BENZYL-2-PHENYLETHYLAMINE

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 0.000178mmHg at 25°C
• Melting Point: 61-64 °C
• Refractive Index: n20/D 1.566(lit.)
• Boiling Point: 329.4°Cat760mmHg
• PKA: 9.36±0.19(Predicted)
• Flash Point: 157.8°C
• PSA: 12.03000
• Density: 1.014g/cm³
• LogP: 3.40980
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 211.136099547
• Heavy Atom Count: 16
• Complexity: 166

Purity/Quality:

99.9% ^*data from raw suppliers

Benethamine ^*data from reagent suppliers

Safty Information:

• 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)CCNCC2=CC=CC=C2
• Uses: N-Benzyl-2-phenethylamine has been used in synthesis of dithiocarbamates.

Technology Process of N-BENZYL-2-PHENYLETHYLAMINE

There total 80 articles about N-BENZYL-2-PHENYLETHYLAMINE 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: 99.0%

benzaldehyde (100-52-7) + phenethylamine (64-04-0) → N-benzyl-2-phenylethylamine (3647-71-0)

Guidance literature:

With bis(benzonitrile)palladium(II) dichloride; hydrogen; 2,2′‐biquinoline‐4,4′‐dicarboxylic acid dipotassium salt; at 100 ℃; for 24h; under 10343 Torr;

DOI:10.1016/j.tetlet.2006.03.153

Reference yield: 98.0%

phenethylamine (64-04-0) + benzyl alcohol (100-51-6,185532-71-2) → N-benzyl-2-phenylethylamine (3647-71-0)

Guidance literature:

With 2,2,4,4,6,6-hexachloro-1,3,5-triaza-2,4,6-triphosphorine; In 1,2,4-Trimethylbenzene; at 200 ℃; for 36h; Inert atmosphere;

DOI:10.1002/chem.201102446

Reference yield: 96.0%

phenylacetonitrile (140-29-4) + benzylamine (100-46-9) → N-benzyl-2-phenylethylamine (3647-71-0)

Guidance literature:

With 3 % platinum on carbon; hydrogen; In toluene; at 105 ℃; under 4500.45 Torr; Flow reactor;

DOI:10.1039/c2cy20431b

upstream raw materials:

N-benzyl-4-methyl-N-phenethylbenzenesulfonamide

phenylacetaldehyde

benzylamine

phenylacetonitrile

Downstream raw materials:

ethylbenzene

ammonia

toluene

13-phenyl-6,7,8,13-tetrahydro-5H-6,13-methanodibenzazonine

Refernces

• 1、 Mock, Elliot D.,Kotsogianni, Ioli,Driever, Wouter P. F.,Fonseca, Carmen S.,Vooijs, Jelle M.,Den Dulk, Hans,Van Boeckel, Constant A. A.,Van Der Stelt, Mario. "Structure-Activity Relationship Studies of Pyrimidine-4-Carboxamides as Inhibitors of N-Acylphosphatidylethanolamine Phospholipase D". . p. 481 - 515. Retrieved 2021/02/05.
• 2、 Antil, Neha,Kumar, Ajay,Akhtar, Naved,Newar, Rajashree,Begum, Wahida,Dwivedi, Ashutosh,Manna, Kuntal. "Aluminum Metal-Organic Framework-Ligated Single-Site Nickel(II)-Hydride for Heterogeneous Chemoselective Catalysis". . p. 3943 - 3957. Retrieved 2021/04/12.