Benzoic acid, 3,5-dinitro-, 2-Methylpropyl ester

Base Information

• Chemical Name: Benzoic acid, 3,5-dinitro-, 2-Methylpropyl ester
• CAS No.: 10478-01-0
• Molecular Formula: C11H12 N2 O6
• Molecular Weight: 268.226
• Hs Code.: 2916399090
• Mol file: 10478-01-0.mol

Synonyms:Benzoicacid, 3,5-dinitro-, isobutyl ester (6CI,7CI,8CI); 2-Methylpropyl3,5-dinitrobenzoate; Isobutyl 3,5-dinitrobenzoate; NSC 87160

Chemical Property of Benzoic acid, 3,5-dinitro-, 2-Methylpropyl ester

Chemical Property:

• Vapor Pressure: 4.51E-06mmHg at 25°C
• Boiling Point: 383.1°C at 760 mmHg
• Flash Point: 165.5°C
• PSA: 117.94000
• Density: 1.335g/cm³
• LogP: 3.36220

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 3,5-dinitro-, 2-Methylpropyl ester

There total 8 articles about Benzoic acid, 3,5-dinitro-, 2-Methylpropyl ester 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:

potassium salt of N-isobutyl-N-nitrosohydroxylamine (75934-58-6) + 3,5-dinitrobenoyl chloride (99-33-2) → 3,5-dinitrobenzoic acid (99-34-3) + 3,5-dinitro-benzoic acid isobutyl ester (10478-01-0) + 1-((3,5-dinitrobenzoyl)oxy)-1,1'-ONN-azoxyisobutane (54978-05-1,92787-85-4) + sec-butyl 3,5-dinitrobenzoate (7510-57-8) + 3,5-dinitrobenzoic anhydride (40993-10-0)

Guidance literature:

In dichloromethane; at -10 ℃; for 12h; Mechanism; Product distribution;

DOI:10.1021/jo00199a024

Reference yield:

3,5-dinitro-benzoic acid-(isobutyl-nitroso-amide) (409322-21-0) → t-butyl 3,5-dinitrobenzoate (5342-97-2) + 3,5-dinitrobenzoic acid (99-34-3) + 3,5-dinitro-benzoic acid isobutyl ester (10478-01-0) + sec-butyl 3,5-dinitrobenzoate (7510-57-8)

Guidance literature:

DOI:10.1021/ja01627a064

Reference yield:

N-isobutyl-3,5-dinitrobenzamide (56808-99-2) → 3,5-dinitro-benzoic acid isobutyl ester (10478-01-0)

Guidance literature:

Multi-step reaction with 2 steps

1: HNO₃, SO₃

With sulfur trioxide; nitric acid;

DOI:10.1021/ja01466a042

upstream raw materials:

1-diazo-2-methyl-propane

3,5-dinitrobenzoic acid

N-Nitro-N-isobutyl-3.5-dinitro-benzamid

silver salt of N-isobutyl-N-nitrosohydroxylamine