3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid

Base Information

• Chemical Name: 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid
• CAS No.: 13811-12-6
• Molecular Formula: C9H8 Br2 O3
• Molecular Weight: 323.969
• Hs Code.: 2918290000
• DSSTox Substance ID: DTXSID50347497
• Wikidata: Q82121474
• Mol file: 13811-12-6.mol

Synonyms:3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid;13811-12-6;3-(3,5-DIBROMO-4-HYDROXYPHENYL)PROPANOICACID;3,5-Dibromophloretic acid;SCHEMBL4624233;DTXSID50347497;MFCD00816760;AS-8057;CS-0445574;FT-0636964;benzenepropanoic acid, 3,5-dibromo-4-hydroxy-;3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid #

Chemical Property of 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 1.12E-06mmHg at 25°C
• Melting Point: 108 °C
• Refractive Index: 1.641
• Boiling Point: 386.9°Cat760mmHg
• Flash Point: 187.8°C
• PSA: 57.53000
• Density: 1.973g/cm³
• LogP: 2.93440
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 323.88197
• Heavy Atom Count: 14
• Complexity: 198

Purity/Quality:

98%min ^*data from raw suppliers

3-(3,5-Dibromo-4-hydroxyphenyl)propanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Br)O)Br)CCC(=O)O

Technology Process of 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic acid

There total 9 articles about 3-(3,5-Dibromo-4-hydroxyphenyl)propanoic 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: 88.0%

4-hydroxyphenylpropionic acid (501-97-3) → 3-(3,5-Dibromo-4-hydroxyphenyl)propionic acid (13811-12-6)

Guidance literature:

With bromine; In dichloromethane; for 1h;

DOI:10.1021/jo00084a011

Reference yield:

2,3-dibromo-3-(3,5-dibromo-4-hydroxy-phenyl)-propionic acid → 3-(3,5-Dibromo-4-hydroxyphenyl)propionic acid (13811-12-6)

Guidance literature:

With hydrogen iodide; acetic acid;

Reference yield:

para-coumaric acid (7400-08-0,50940-26-6) → 3-(3,5-Dibromo-4-hydroxyphenyl)propionic acid (13811-12-6)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid; bromine

2: HI; glacial acetic acid

With hydrogen iodide; bromine; acetic acid;

upstream raw materials:

4-hydroxyphenylpropionic acid

hydrogenchloride

7,9-dibromo-1-oxa-spiro[4.5]deca-6,9-diene-2,8-dione

acetonitrile

Downstream raw materials:

N-[3-(3,5-dibromo-4-hydroxy-phenyl)-propionyl]-glycine

ethyl 3-(3,5-dibromo-4-hydroxyphenyl)propionate

3-(3,5-Dibromo-4-ethoxyphenyl)propionic acid ethyl ester

3-(3,5-dibromo-4-hydroxy-phenyl)-propionic acid benzylamide