Acetamide, N-[3-[bis(phenylmethyl)amino]phenyl]-

Base Information

• Chemical Name: Acetamide, N-[3-[bis(phenylmethyl)amino]phenyl]-
• CAS No.: 29103-60-4
• Molecular Formula: C22H22 N2 O
• Molecular Weight: 330.429
• Hs Code.: 2924299090
• European Community (EC) Number: 249-438-6
• DSSTox Substance ID: DTXSID8067442
• Nikkaji Number: J29.962F
• Wikidata: Q81994034
• Mol file: 29103-60-4.mol

Synonyms:29103-60-4;EINECS 249-438-6;Acetamide, N-[3-[bis(phenylmethyl)amino]phenyl]-;Acetamide, N-(3-(bis(phenylmethyl)amino)phenyl)-;N-(3-(Bis(phenylmethyl)amino)phenyl)acetamide;N-[3-[BIS(PHENYLMETHYL)AMINO]PHENYL]ACETAMIDE;3-acetamido-N,N-dibenzylaniline;DTXSID8067442;SCHEMBL10801097;3-Acetylamino-N,N-dibenzylaniline;N-[3-[bis-(Phenylmethyl)amino]phenyl]acetamide

Chemical Property of Acetamide, N-[3-[bis(phenylmethyl)amino]phenyl]-

Chemical Property:

• Vapor Pressure: 4.78E-13mmHg at 25°C
• Boiling Point: 571°Cat760mmHg
• Flash Point: 299.1°C
• PSA: 35.83000
• Density: 1.172g/cm³
• LogP: 5.50130
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 330.173213330
• Heavy Atom Count: 25
• Complexity: 379

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC(=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Technology Process of Acetamide, N-[3-[bis(phenylmethyl)amino]phenyl]-

There total 5 articles about Acetamide, N-[3-[bis(phenylmethyl)amino]phenyl]- 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%

N,N-dibenzyl-O-benzoylhydroxylamine (52742-32-2) + tris-(2-acetylamino-phenyl)-cyclotriboroxane → N-(3-(dibenzylamino)phenyl)acetamide (29103-60-4)

Guidance literature:

tris-(2-acetylamino-phenyl)-cyclotriboroxane; With potassium carbonate; In 1,4-dioxane; at 130 ℃; for 24h; Inert atmosphere;

N,N-dibenzyl-O-benzoylhydroxylamine; In 1,4-dioxane; Inert atmosphere;

DOI:10.1021/ol301912a

Reference yield: 56.0%

N,N-dibenzyl-3-nitroaniline (29103-51-3) + acetic acid (64-19-7,77671-22-8) + ethyl acetate (141-78-6) → N-(3-(dibenzylamino)phenyl)acetamide (29103-60-4)

Guidance literature:

With iron; at 110 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acs.orglett.1c00248

Reference yield:

dibenzylamine (103-49-1) → N-(3-(dibenzylamino)phenyl)acetamide (29103-60-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium hydrogenphosphate trihydrate / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

2.1: potassium carbonate / 1,4-dioxane / 24 h / 130 °C / Inert atmosphere

2.2: Inert atmosphere

With potassium hydrogenphosphate trihydrate; potassium carbonate; In 1,4-dioxane; N,N-dimethyl-formamide;

DOI:10.1021/ol301912a

upstream raw materials:

3-nitro-aniline

N,N-dibenzyl-O-benzoylhydroxylamine

dibenzylamine

N,N-dibenzyl-3-nitroaniline

Refernces

• 1、 Xiao, Qing,Tian, Leiming,Tan, Renchang,Xia, Ying,Qiu, Di,Zhang, Yan,Wang, Jianbo. "Transition-metal-free electrophilic amination of arylboroxines". experimental part. p. 4230 - 4233. Retrieved 2012/09/22.