tert-butyl 3-(aminomethyl)benzoate

Base Information

• Chemical Name: tert-butyl 3-(aminomethyl)benzoate
• CAS No.: 102638-45-9
• Molecular Formula: C12H17NO2
• Molecular Weight: 207.272
• Hs Code.: 2922499990
• Mol file: 102638-45-9.mol

Synonyms:1,1-dimethylethyl-3-(aminomethyl)benzoate;Benzoic acid,3-(aminomethyl)-,1,1-dimethylethyl ester;tert-Butyl 3-aminomethylbenzoate;

Chemical Property of tert-butyl 3-(aminomethyl)benzoate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Boiling Point: 312.689oC at 760 mmHg
• Flash Point: 165.77oC
• PSA: 52.32000
• LogP: 2.80090

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl 3-aminomethylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 3-(aminomethyl)benzoate

There total 3 articles about tert-butyl 3-(aminomethyl)benzoate 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:

tert-butyl 3-cyanobenzoic acid (383185-76-0) → tert-butyl 3-(aminomethyl)benzoate (102638-45-9)

Guidance literature:

With formic acid; palladium on activated charcoal; triethylamine; In tetrahydrofuran; at 40 ℃; for 4h; Inert atmosphere;

DOI:10.3390/molecules24152780

Reference yield:

3-Cyanobenzoic acid (1877-72-1) → tert-butyl 3-(aminomethyl)benzoate (102638-45-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; magnesium sulfate / dichloromethane / 24 h / 20 °C

2: formic acid; palladium on activated charcoal; triethylamine / tetrahydrofuran / 4 h / 40 °C / Inert atmosphere

With formic acid; sulfuric acid; palladium on activated charcoal; magnesium sulfate; triethylamine; In tetrahydrofuran; dichloromethane;

DOI:10.3390/molecules24152780

Reference yield:

tert-butyl 3-(azidomethyl)benzoate (1258285-76-5) → tert-butyl 3-(aminomethyl)benzoate (102638-45-9)

Guidance literature:

With hydrogen; palladium(II) hydroxide; In tetrahydrofuran; for 1h;

DOI:10.1016/j.bmc.2010.09.042

upstream raw materials:

tert-butyl 3-(azidomethyl)benzoate

tert-butyl 3-cyanobenzoic acid

3-Cyanobenzoic acid

Downstream raw materials:

tert-butyl 3-(acrylamidomethyl)benzoate

Refernces

• 1、 Sako, Yuki,Ichikawa, Satoshi,Osada, Akiko,Matsuda, Akira. "Synthesis and evaluation of 5-substituted 9-hydroxypyrrolo[3,4-c]carbazole- 1,3(2H,6H)-diones as check point 1 kinase inhibitors". experimental part. p. 7878 - 7889. Retrieved 2011/02/23.