N-phenethylbenzamide

Base Information

• Chemical Name: N-phenethylbenzamide
• CAS No.: 3278-14-6
• Molecular Formula: C15H15NO
• Molecular Weight: 225.29
• Hs Code.: 2924299090
• European Community (EC) Number: 608-784-1
• NSC Number: 43723,16618
• DSSTox Substance ID: DTXSID90186443
• Nikkaji Number: J432.487K
• Wikidata: Q72500885
• ChEMBL ID: CHEMBL4852435
• Mol file: 3278-14-6.mol

Synonyms:N-phenethylbenzamide;riparin A

Chemical Property of N-phenethylbenzamide

Chemical Property:

• Vapor Pressure: 6.61E-08mmHg at 25°C
• Melting Point: 117-118 °C
• Refractive Index: 1.581
• Boiling Point: 439 °C at 760 mmHg
• PKA: 14.56±0.46(Predicted)
• Flash Point: 264.3 °C
• PSA: 29.10000
• Density: 1.088 g/cm³
• LogP: 3.05000
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 225.115364102
• Heavy Atom Count: 17
• Complexity: 227

Purity/Quality:

99% ^*data from raw suppliers

N-(2-Phenylethyl)benzamide 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCNC(=O)C2=CC=CC=C2
• Uses: N-Phenethylbenzamide was used for the synthesis of deteurerium-labeled amides within microreactors.

Technology Process of N-phenethylbenzamide

There total 140 articles about N-phenethylbenzamide 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%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + phenethylamine (64-04-0) → N-phenethylbenzamide (3278-14-6)

Guidance literature:

With 14C₂H₂F₃O^(1-)*6C₄H₈O*La₂Na₈⁽¹⁴⁺⁾; at 80 ℃; for 6h; Inert atmosphere;

Reference yield: 99.0%

benzoyltrimethylsilane (5908-41-8) + phenethyl azide (6926-44-9) → N-phenethylbenzamide (3278-14-6)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 20 ℃; for 0.166667h; Inert atmosphere;

DOI:10.1016/j.tetlet.2016.06.124

Reference yield: 98.0%

C22H21N3OS → N-phenethylbenzamide (3278-14-6)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; methanol; at 0 ℃;

DOI:10.1021/ja00342a069

upstream raw materials:

N-(2-oxo-2-phenylethyl)benzamide

2-(benzoylamino)-1-phenylethanol

phenethyl azide

benzaldehyde

Downstream raw materials:

1-phenyl-3,4-dihydroisoquinoline

N-Benzoyl-N_.N'-diphenaethyl-benzamidin

N-(2-phenethyl)benzimidoyl chloride hydrochloride

(S)-N-carboxylic acid ethyl ester-1-phenyl-1,2,3,4-tetrahydroisoquinoline

Refernces

• 1、 Lindsley, Craig W,Zhao, Zhijian,Leister, William H,Strauss, Kimberly A. "Fluorous-tethered amine bases for organic and parallel synthesis: Scope and limitations". . p. 6319 - 6323. Retrieved 2002.
• 2、 Chen, Xiangyang,Houk, Kendall N.,Mo, Jia-Nan,Su, Junqi,Umanzor, Alexander,Zhang, Zheng,Zhao, Jiannan. "Generation of Oxyphosphonium Ions by Photoredox/Cobaloxime Catalysis for Scalable Amide and Peptide Synthesis in Batch and Continuous-Flow". supporting information. . Retrieved 2022/01/06.
• 3、 Fu, Zhengqiang,Wang, Xinghua,Tao, Sheng,Bu, Qingqing,Wei, Donghui,Liu, Ning. "Manganese Catalyzed Direct Amidation of Esters with Amines". . p. 2339 - 2358. Retrieved 2021/02/03.