Benzoic acid, 3,5-diamino-, 1-methylethyl ester (9CI)

Base Information

• Chemical Name: Benzoic acid, 3,5-diamino-, 1-methylethyl ester (9CI)
• CAS No.: 345205-42-7
• Molecular Formula: C10H14 N2 O2
• Molecular Weight: 194.233
• Mol file: 345205-42-7.mol

Synonyms:Benzoic acid, 3,5-diamino-, 1-methylethyl ester (9CI)

Chemical Property of Benzoic acid, 3,5-diamino-, 1-methylethyl ester (9CI)

Chemical Property:

• PSA: 78.34000
• LogP: 2.57860

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 3,5-diamino-, 1-methylethyl ester (9CI)

There total 3 articles about Benzoic acid, 3,5-diamino-, 1-methylethyl 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: 94.0%

3,5-dinitro-benzoic acid isopropyl ester (10477-99-3) → isopropyl 3,5-diaminobenzoate (345205-42-7)

Guidance literature:

With hydrogen; palladium on activated charcoal; In tetrahydrofuran; at 20 ℃; under 760 Torr;

DOI:10.3987/com-01-9242

Reference yield:

3,5-dinitrobenoyl chloride (99-33-2) → isopropyl 3,5-diaminobenzoate (345205-42-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / pyridine / tetrahydrofuran / 0.33 h / Heating

2: 94 percent / H₂ / 10 percent Pd-C / tetrahydrofuran / 20 °C / 760 Torr

With pyridine; hydrogen; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.3987/com-01-9242

Reference yield:

→ isopropyl 3,5-diaminobenzoate (345205-42-7)

Guidance literature:

upstream raw materials:

3,5-dinitro-benzoic acid isopropyl ester

3,5-dinitrobenoyl chloride

Downstream raw materials:

C₇₄H₈₂N₂O₁₄Si₄

Refernces

• 1、 Feldman, Ken S.,Liu, Yanze,Saunders, Joe C.,Masters, Katherine M.,Campbell, Robert F.. "Heterocycles in organic materials chemistry. Synthesis of di-, tri-, and tetraimide polycarboxylic acids for use in organic network assembly". . p. 1527 - 1554. Retrieved 2007/10/03.