N-(1-Phenylethyl)benzamide

Base Information

• Chemical Name: N-(1-Phenylethyl)benzamide
• CAS No.: 3480-59-9
• Molecular Formula: C15H15NO
• Molecular Weight: 225.29
• Hs Code.: 2924299090
• NSC Number: 100227
• DSSTox Substance ID: DTXSID20295198
• Nikkaji Number: J593.303J
• ChEMBL ID: CHEMBL20030
• Mol file: 3480-59-9.mol

Synonyms:N-(1-Phenylethyl)benzamide;3480-59-9;(R)-(+)-N-BENZOYL-ALPHA-METHYLBENZYLAMINE;citronellylpropionate;NSC100227;Enamine_000527;NCIOpen2_006560;CBDivE_003009;CHEMBL20030;SCHEMBL751213;N-(1-Phenylethyl)benzamide #;Benzamide, N-(1-phenylethyl)-;DTXSID20295198;FALTVGCCGMDSNZ-UHFFFAOYSA-N;HMS1395H21;N-benzoyl-( -)-1-phenylethylamine;STK018582;AKOS000491143;AKOS016042782;NSC-100227;A822511;Z31450154

Chemical Property of N-(1-Phenylethyl)benzamide

Chemical Property:

• Vapor Pressure: 2.34E-07mmHg at 25°C
• Melting Point: 128-129℃ (heptane )
• Boiling Point: 422.8°Cat760mmHg
• Flash Point: 254.9°C
• PSA: 29.10000
• Density: 1.084g/cm³
• LogP: 3.56850
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 225.115364102
• Heavy Atom Count: 17
• Complexity: 239

Purity/Quality:

99.90% ^*data from raw suppliers

N-(1-phenylethyl)benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2

Technology Process of N-(1-Phenylethyl)benzamide

There total 187 articles about N-(1-Phenylethyl)benzamide 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: 100.0%

benzoyl chloride (98-88-4) + rac-methylbenzylamine (618-36-0) → N-(1-phenylethyl)benzamide (3480-59-9)

Guidance literature:

With triethylamine; In diethyl ether; at 20 ℃; for 2h;

DOI:10.1002/anie.200705643

Reference yield: 97.0%

1-Phenylethanol (98-85-1,13323-81-4) + benzonitrile (100-47-0) → N-(1-phenylethyl)benzamide (3480-59-9)

Guidance literature:

With HClO4-functionalized silica-coated magnetic nanoparticles [γ-Fe2O3@SiO2-HClO4]; at 20 ℃; for 3h; Neat (no solvent);

DOI:10.1016/j.apcata.2010.06.014

Reference yield: 94.0%

(α)-methylbenzylamine hydrochloride (13437-79-1) + benzyl alcohol (100-51-6,185532-71-2) → N-(1-phenylethyl)benzamide (3480-59-9)

Guidance literature:

With tert.-butylhydroperoxide; C₇₂H₆₀Cu₄Na₄O₂₄Si₁₂; calcium carbonate; In nonane; acetonitrile; at 80 ℃; for 24h; Reagent/catalyst;

DOI:10.1002/chem.201500791

upstream raw materials:

2,2,2-trichloroacetophenone

rac-methylbenzylamine

1-Phenylethanol

benzonitrile

Downstream raw materials:

N-nitroso-N-((S)-1-phenyl-ethyl)-benzamide

N-[1-phenylethyl]benzenecarbothioamide

(S)-N-benzyl-1-phenylethylamine

Refernces

• 1、 -. "AMINE-BORANES AS BIFUNCTIONAL REAGENTS FOR DIRECT AMIDATION OF CARBOXYLIC ACIDS". Paragraph 0008-0009; 0063-0064. . Retrieved 2022/03/04.
• 2、 Li, Qi Yukki,Gockel, Samuel N.,Lutovsky, Grace A.,DeGlopper, Kimberly S.,Baldwin, Neil J.,Bundesmann, Mark W.,Tucker, Joseph W.,Bagley, Scott W.,Yoon, Tehshik P.. "Decarboxylative cross-nucleophile coupling via ligand-to-metal charge transfer photoexcitation of Cu(ii) carboxylates". . p. 94 - 99. Retrieved 2022/01/11.