3-NITROBENZOIC-D4 ACID

Base Information

• Chemical Name: 3-NITROBENZOIC-D4 ACID
• CAS No.: 78399-78-7
• Molecular Formula: C7H D4 N O4
• Molecular Weight: 171.089
• Mol file: 78399-78-7.mol

Synonyms:3-NITROBENZOIC-D4 ACID

Chemical Property of 3-NITROBENZOIC-D4 ACID

Chemical Property:

• Melting Point: 141-142 °C
• PSA: 83.12000
• LogP: 1.81620

Purity/Quality:

99%min ^*data from raw suppliers

m-Nitrobenzoic-d4Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Nitrotoluene metabolite. A chemoattractants against Pseudomonas strains.

Technology Process of 3-NITROBENZOIC-D4 ACID

There total 3 articles about 3-NITROBENZOIC-D4 ACID 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: 70.0%

benzoic acid-2,3,4,5,6-d5 (1079-02-3) → [2,4,5,6-D4]3-nitrobenzoic acid (78399-78-7)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 2h;

Reference yield:

[2,4,5,6-D4]3-aminobenzoic acid (78399-79-8) → [2,4,5,6-D4]3-nitrobenzoic acid (78399-78-7)

Guidance literature:

With oxone; sodium hydrogencarbonate; In water; acetone; at 8 ℃;

Reference yield:

meta-aminobenzoic acid (99-05-8,159139-79-4) → [2,4,5,6-D4]3-nitrobenzoic acid (78399-78-7)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / water-d2 / 24 h / 180 °C / 760.05 Torr / Autoclave; Inert atmosphere

2: oxone; sodium hydrogencarbonate / acetone; water / 8 °C

With oxone; palladium 10% on activated carbon; hydrogen; sodium hydrogencarbonate; In water; water-d2; acetone;

upstream raw materials:

benzoic acid-2,3,4,5,6-d5

meta-aminobenzoic acid

[2,4,5,6-D₄]3-aminobenzoic acid

Downstream raw materials:

[2,4,5,6-D₄]3-aminobenzoic acid

methyl 3-aminobenzoate-2,4,5,6-d4

Refernces

• 1、 -. "Indole ketone compound or its derivatives and their use". . . Retrieved 2017/02/02.