4-Acetamidobenzylamine

Base Information

• Chemical Name: 4-Acetamidobenzylamine
• CAS No.: 25412-53-7
• Molecular Formula: C9H12 N2 O
• Molecular Weight: 164.207
• Hs Code.: 2924299090
• European Community (EC) Number: 823-361-3
• DSSTox Substance ID: DTXSID70571111
• Nikkaji Number: J96.533B
• Wikidata: Q82458724
• Mol file: 25412-53-7.mol

Synonyms:4-ACETAMIDOBENZYLAMINE;25412-53-7;N-[4-(Aminomethyl)Phenyl]Acetamide;N-(4-(aminomethyl)phenyl)acetamide;p-acetamido benzylamine;4-acetylamino-benzylamine;4-(acetylamino)benzylamine;SCHEMBL1146000;DTXSID70571111;AWRGRDOODISXNB-UHFFFAOYSA-N;4-acetamidobenzylamine, AldrichCPR;MFCD01861391;AKOS000194930;SB76638;BS-13601;CS-0139398;EN300-34748;C77608;Z235336571;L3V

Chemical Property of 4-Acetamidobenzylamine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.603
• Boiling Point: 374.8°Cat760mmHg
• Flash Point: 180.5°C
• PSA: 55.12000
• Density: 1.152g/cm³
• LogP: 1.87700
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 164.094963011
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

98%min ^*data from raw suppliers

N-[4-(aminomethyl)phenyl]acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(C=C1)CN

Technology Process of 4-Acetamidobenzylamine

There total 6 articles about 4-Acetamidobenzylamine 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: 96.0%

N-(4-cyanophenyl)acetamide (35704-19-9) → 4-(acetamido)benzylamine (25412-53-7)

Guidance literature:

N-(4-cyanophenyl)acetamide; With cobalt(III) acetylacetonate; tris(2-(dicyclohexylphosphanyl)ethyl)phosphane; In tert-butyl alcohol; Sealed tube; Inert atmosphere;

With potassium tert-butylate; In tert-butyl alcohol; Sealed tube; Inert atmosphere;

With hydrogen; In tert-butyl alcohol; at 80 ℃; for 18h; under 22502.3 Torr; Autoclave;

DOI:10.1002/cssc.201601843

Reference yield: 93.0%

N-(4-((N-(phenylsulfonyl)phenylsulfonamido)methyl)phenyl)acetamide (1253778-94-7) → 4-(acetamido)benzylamine (25412-53-7)

Guidance literature:

With sulfuric acid; at 25 ℃; for 3h;

DOI:10.1016/j.tet.2018.01.041

Reference yield: 84.0%

(4-aminomethyl)aniline (4403-71-8) + acetic anhydride (108-24-7) → 4-(acetamido)benzylamine (25412-53-7)

Guidance literature:

pH 4.15;

DOI:10.1021/jo00084a029

upstream raw materials:

(4-aminomethyl)aniline

acetic anhydride

N-(4-cyanophenyl)acetamide

N-(4-((N-(phenylsulfonyl)phenylsulfonamido)methyl)phenyl)acetamide

Downstream raw materials:

(R)-N-(4-acetamidobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide

Refernces

• 1、 Xie, Chao,Song, Jinliang,Hua, Manli,Hu, Yue,Huang, Xin,Wu, Haoran,Yang, Guanying,Han, Buxing. "Ambient-Temperature Synthesis of Primary Amines via Reductive Amination of Carbonyl Compounds". . p. 7763 - 7772. Retrieved 2020/08/21.
• 2、 Yang, Yaocheng,Yu, Yanting,Wang, Yang,Zhang, Qian,Li, Dong. "Metal-free remote oxidative benzylic C?H amination of 4-methylanilides with N-fluorobenzenesulfonimide". . p. 1085 - 1091. Retrieved 2018/02/06.