4-Bromo-3-(hydroxymethyl)benzoic acid

Base Information

• Chemical Name: 4-Bromo-3-(hydroxymethyl)benzoic acid
• CAS No.: 790230-04-5
• Molecular Formula: C8H7BrO3
• Molecular Weight: 231.046
• Hs Code.: 2918199090
• DSSTox Substance ID: DTXSID60704390
• Wikidata: Q82636810
• Mol file: 790230-04-5.mol

Synonyms:4-bromo-3-(hydroxymethyl)benzoic acid;790230-04-5;4-Bromo-3-(hydroxymethyl)benzoicacid;SCHEMBL976882;DTXSID60704390;ZKHGQEFOBYVUFQ-UHFFFAOYSA-N;AMY26853;MFCD16249537;AKOS015924449;CS-W022098;DS-17819;FT-0738588;I11545

Chemical Property of 4-Bromo-3-(hydroxymethyl)benzoic acid

Chemical Property:

• PSA: 57.53000
• LogP: 1.63960
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 229.95786
• Heavy Atom Count: 12
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-3-(hydroxymethyl)benzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)O)CO)Br

Technology Process of 4-Bromo-3-(hydroxymethyl)benzoic acid

There total 9 articles about 4-Bromo-3-(hydroxymethyl)benzoic 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: 98.0%

methyl 3-(acetyloxy)methyl-4-bromobenzoate (254746-41-3) → 4-bromo-3-(hydroxymethyl)benzoic acid (790230-04-5)

Guidance literature:

methyl 3-(acetyloxy)methyl-4-bromobenzoate; With lithium hydroxide monohydrate; water; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; In tetrahydrofuran; water; pH=~ 1;

Reference yield: 98.0%

→ 4-bromo-3-(hydroxymethyl)benzoic acid (790230-04-5)

Guidance literature:

Reference yield: 70.0%

4-bromo-3-(bromomethyl)benzoic acid (887757-31-5) → 4-bromo-3-(hydroxymethyl)benzoic acid (790230-04-5)

Guidance literature:

4-bromo-3-(bromomethyl)benzoic acid; With sodium carbonate; In water; at 70 ℃; for 2h;

With hydrogenchloride; In water;

upstream raw materials:

methyl 3-(acetyloxy)methyl-4-bromobenzoate

4-Bromo-3-methylbenzoic acid methyl ester

methyl 4-bromo-3-(bromomethyl)benzoate

4-bromo-3-formyl-benzoic acid methyl ester

Downstream raw materials:

C₈H₆BrClO₂

tert-butyl 4-(isobutylamino)carbonyl-2'-{[3-(methoxycarbonyl)phenyl]amino}carbonyl-4'-[methyl(trifluoroacetyl)amino]biphenyl-2-carboxylate

tert-butyl 2'-{[3-(aminocarbonyl)phenyl]amino}carbonyl-4-(isobutylamino)carbonyl-4'-(methylamino)biphenyl-2-carboxylate

2'-(3-carboxy-phenylcarbamoyl)-4-isobutylcarbamoyl-4'-methylamino-biphenyl-2-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "Self-flickering super-resolution fluorescent dye based on SNAP-tag technology as well as synthesis and application thereof". . . Retrieved 2020/07/15.
• 2、 -. "BTK INHIBITORS". . . Retrieved 2016/07/27.