(2-Bromo-3-nitrophenyl)methanol

Base Information

• Chemical Name: (2-Bromo-3-nitrophenyl)methanol
• CAS No.: 90407-20-8
• Molecular Formula: C7H6BrNO3
• Molecular Weight: 232.034
• Hs Code.: 2906290090
• DSSTox Substance ID: DTXSID101306236
• Nikkaji Number: J2.958.316A
• Mol file: 90407-20-8.mol

Synonyms:(2-Bromo-3-nitrophenyl)methanol;90407-20-8;2-Bromo-3-nitrobenzyl alcohol;2-Bromo-3-nitrobenzenemethanol;SCHEMBL4615535;DTXSID101306236;MFCD18392283;PS-10574;CS-0311401;E82644;EN300-252749

Chemical Property of (2-Bromo-3-nitrophenyl)methanol

Chemical Property:

• PSA: 66.05000
• LogP: 2.37280
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.95311
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

99% ^*data from raw suppliers

2-Bromo-3-nitrobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of (2-Bromo-3-nitrophenyl)methanol

There total 5 articles about (2-Bromo-3-nitrophenyl)methanol 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: 98.0%

2-bromo-3-nitro-benzoic acid (573-54-6) → 2-bromo-3-(hydroxymethyl)-1-nitrobenzene (90407-20-8)

Guidance literature:

With diborane; In tetrahydrofuran; diethylene glycol dimethyl ether; for 24h; Ambient temperature;

Reference yield: 98.0%

2-bromo-3-nitrobenzaldehyde (90407-21-9) → 2-bromo-3-(hydroxymethyl)-1-nitrobenzene (90407-20-8)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 20 ℃;

DOI:10.1021/acs.joc.9b00528

Reference yield: 93.0%

2-bromo-1-bromomethyl-3-nitrobenzene (82617-49-0) → 2-bromo-3-(hydroxymethyl)-1-nitrobenzene (90407-20-8)

Guidance literature:

With water; toluene-4-sulfonic acid; In acetonitrile; for 336h; Heating;

DOI:10.1021/jo991208+

upstream raw materials:

2-bromo-3-nitro-benzoic acid

2-bromo-1-bromomethyl-3-nitrobenzene

2-bromo-3-nitrotoluene

anhydro-2-hydroxymercuri-3-nitrobenzoic acid

Downstream raw materials:

2-bromo-3-nitrobenzaldehyde

7-aminophthalide

tert-butyl (2E)-3-{2-[(3-tert-butoxy-3-oxopropoxy)methyl]-6-nitrophenyl}acrylate

N-(2-bromo-3-(2-hydroxy-5-(trimethylsilyl)pent-4-yn-1-yl)phenyl)acetamide

Refernces

• 1、 Liu, Jian-Quan,Chen, Xinyi,Shatskiy, Andrey,K?rk?s, Markus D.,Wang, Xiang-Shan. "Silver-Mediated Synthesis of Substituted Benzofuran- And Indole-Pyrroles via Sequential Reaction of ortho-Alkynylaromatics with Methylene Isocyanides". . p. 8998 - 9006. Retrieved 2019/06/17.
• 2、 Sienkowska, Monika,Benin, Vladimir,Kaszynski, Piotr. "Preparation and NMR analysis of 2,6-heterodifunctional halobenzenes as precursors for substituted biphenyls". . p. 165 - 173. Retrieved 2007/10/03.