Benzoic acid, 4-amino-3-(3-hydroxypropyl)-, methyl ester (9CI)

Base Information

• Chemical Name: Benzoic acid, 4-amino-3-(3-hydroxypropyl)-, methyl ester (9CI)
• CAS No.: 746622-08-2
• Molecular Formula: C11H15 N O3
• Molecular Weight: 209.245
• Mol file: 746622-08-2.mol

Synonyms:Benzoic acid, 4-amino-3-(3-hydroxypropyl)-, methyl ester (9CI)

Chemical Property of Benzoic acid, 4-amino-3-(3-hydroxypropyl)-, methyl ester (9CI)

Chemical Property:

• PSA: 72.55000
• LogP: 1.56150

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4-amino-3-(3-hydroxypropyl)-, methyl ester (9CI)

There total 3 articles about Benzoic acid, 4-amino-3-(3-hydroxypropyl)-, methyl ester (9CI) 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: 61.0%

3-(2-amino-5-methoxycarbonylphenyl)-2-propyn-1-ol (833486-28-5) → 3-(2-amino-5-methoxycarbonylphenyl)-1-propanol (746622-08-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; at 20 ℃; for 48h;

DOI:10.1021/ol0489954

Reference yield: 48.0%

propargyl alcohol (107-19-7) + 3-(2-amino-5-methoxycarbonylphenyl)-2-propyn-1-ol (833486-28-5) → 3-(2-amino-5-methoxycarbonylphenyl)-1-propanol (746622-08-2)

Guidance literature:

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride; at 20 ℃; for 4.5h;

DOI:10.1021/ol0489954

Reference yield:

4-amino-3-iodobenzoic acid methyl ester (19718-49-1) → 3-(2-amino-5-methoxycarbonylphenyl)-1-propanol (746622-08-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / Et₃N; CuI / PdCl₂(PPh₃)2 / 4.5 h / 20 °C

2: 48 percent / Et₃N; CuI / PdCl₂(PPh₃)2 / 4.5 h / 20 °C

With copper(l) iodide; triethylamine; bis-triphenylphosphine-palladium(II) chloride;

DOI:10.1021/ol0489954

upstream raw materials:

propargyl alcohol

3-(2-amino-5-methoxycarbonylphenyl)-2-propyn-1-ol

4-amino-3-iodobenzoic acid methyl ester

Downstream raw materials:

2-oxo-1,2,3,4-tetrahydro-6-quinolinecarboxylic acid methyl ester