4-Bromo-3-nitro-1-naphthoic acid

Base Information

• Chemical Name: 4-Bromo-3-nitro-1-naphthoic acid
• CAS No.: 852381-11-4
• Molecular Formula: C₁₁H₆BrNO₄
• Molecular Weight: 296.077
• DSSTox Substance ID: DTXSID90699240
• Wikidata: Q82630081
• Mol file: 852381-11-4.mol

Synonyms:4-BROMO-3-NITRO-1-NAPHTHOIC ACID;852381-11-4;4-bromo-3-nitronaphthalene-1-carboxylic acid;DTXSID90699240;(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-aceticacid

Chemical Property of 4-Bromo-3-nitro-1-naphthoic acid

Chemical Property:

• PSA: 83.12000
• LogP: 3.73190
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 294.94802
• Heavy Atom Count: 17
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

4-BROMO-3-NITRO-1-NAPHTHOIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CC(=C2Br)[N+](=O)[O-])C(=O)O

Technology Process of 4-Bromo-3-nitro-1-naphthoic acid

There total 1 articles about 4-Bromo-3-nitro-1-naphthoic 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:

4-bromo-3-nitro-1,8-naphthalic anhydride (52821-19-9) → 4-bromo-3-nitro-1-naphthoic acid (852381-11-4) + 4-bromo-3-nitro-8-naphthoic acid

Guidance literature:

4-bromo-3-nitro-1,8-naphthalic anhydride; With acetic acid; mercury(II) oxide; In water; for 96h; Heating;

With hydrogenchloride; In water; for 3h; Heating;

DOI:10.1016/j.tet.2005.03.135

Reference yield:

4-bromo-3-nitro-1-naphthoic acid (852381-11-4) → 2-p-tolyl-naphtho[2,1-d]thiazole-5-carboxylic acid

Guidance literature:

Multi-step reaction with 2 steps

1: sodium disulfide / H₂O / 8.5 h / Heating

2: acetic acid / 4 h / Heating

With acetic acid; sodium disulfide; In water;

DOI:10.1016/j.bmc.2005.02.045

Reference yield:

4-bromo-3-nitro-1-naphthoic acid (852381-11-4) → 2-p-tolyl-naphtho[2,1-d]thiazole-5-carbonyl chloride

Guidance literature:

Multi-step reaction with 3 steps

1: sodium disulfide / H₂O / 8.5 h / Heating

2: acetic acid / 4 h / Heating

3: thionyl chloride; dimethylformamide / CHCl₃ / 20 h / Heating

With thionyl chloride; acetic acid; N,N-dimethyl-formamide; sodium disulfide; In chloroform; water;

DOI:10.1016/j.bmc.2005.02.045

upstream raw materials:

4-bromo-3-nitro-1,8-naphthalic anhydride

Downstream raw materials:

2-phenylnaphtho[2,1-d]thiazole-5-carboxylic acid

2-(4-methoxy-phenyl)-naphtho[2,1-d]thiazole-5-carboxylic acid

Refernces