3-(3,5-Dibromophenyl)propanoic acid

Base Information

• Chemical Name: 3-(3,5-Dibromophenyl)propanoic acid
• CAS No.: 923977-15-5
• Molecular Formula: C9H8Br2O2
• Molecular Weight: 307.96662
• European Community (EC) Number: 663-729-9
• DSSTox Substance ID: DTXSID30581296
• Nikkaji Number: J2.410.636E
• Wikidata: Q82472372
• Mol file: 923977-15-5.mol

Synonyms:3-(3,5-Dibromophenyl)propanoic acid;923977-15-5;3-(3,5-Dibromophenyl)propionic acid;SCHEMBL17672986;DTXSID30581296;YLB97715;3-(3,5-Dibromophenyl)propanoicacid;MFCD11973898;AKOS030524244;DS-19456;3-(3,5-Dibromophenyl)propionic acid, 97%;CS-0158414;F52862

Chemical Property of 3-(3,5-Dibromophenyl)propanoic acid

Chemical Property:

• Melting Point: 62℃
• PSA: 37.30000
• LogP: 3.22880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 307.88706
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

98% ^*data from raw suppliers

3-(3,5-Dibromophenyl)propionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Br)Br)CCC(=O)O
• Uses: 3-(3,5-Dibromophenyl)propionic acid is used as an organic chemical synthesis intermediate.

Technology Process of 3-(3,5-Dibromophenyl)propanoic acid

There total 2 articles about 3-(3,5-Dibromophenyl)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: 100.0%

5-(3,5-dibromo-benzyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione (923977-10-0) → 3-(3,5-dibromo-phenyl)-propionic acid (923977-15-5)

Guidance literature:

With water; In acetonitrile; at 120 ℃; for 0.5h; microwave irradiation;

DOI:10.1016/j.tet.2006.10.065

Reference yield:

3,5-dibromobenzaldehyde (56990-02-4) → 3-(3,5-dibromo-phenyl)-propionic acid (923977-15-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 85 percent / triethylammonium formate

2: 100 percent / H₂O / acetonitrile / 0.5 h / 120 °C / microwave irradiation

With water; triethylammonium formate; In acetonitrile;

DOI:10.1016/j.tet.2006.10.065

Reference yield: 100.0%

3-(3,5-dibromo-phenyl)-propionic acid (923977-15-5) → 4,6-dibromo-1-indanone (207857-48-5)

Guidance literature:

With trifluorormethanesulfonic acid; In dichloromethane; at 80 ℃; for 2h; High pressure; Inert atmosphere; Green chemistry;

DOI:10.3390/molecules19055599

upstream raw materials:

5-(3,5-dibromo-benzyl)-2,2-dimethyl-[1,3]dioxane-4,6-dione

3,5-dibromobenzaldehyde

Downstream raw materials:

5,7-dibromo-indan-1-one

4,6-dibromo-1-indanone

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