3-(4-bromophenyl)pentanedioic Acid

Base Information

• Chemical Name: 3-(4-bromophenyl)pentanedioic Acid
• CAS No.: 1141-24-8
• Molecular Formula: C11H11BrO4
• Molecular Weight: 287.11
• Hs Code.: 2917399090
• DSSTox Substance ID: DTXSID10443525
• Wikidata: Q82261404
• Mol file: 1141-24-8.mol

Synonyms:3-(4-bromophenyl)pentanedioic Acid;1141-24-8;Pentanedioic acid, 3-(4-bromophenyl)-;b-(4-Bromophenyl)glutaric acid;SCHEMBL657687;3-(4-bromophenyl)-glutaric acid;DTXSID10443525;ZSYRDSTUBZGDKI-UHFFFAOYSA-N;BAA14124;MFCD09032971;3-(4-bromo-phenyl)-pentanedioic acid;AKOS015957574;CS-0075980;EN300-197885;F2189-0198

Chemical Property of 3-(4-bromophenyl)pentanedioic Acid

Chemical Property:

• PSA: 74.60000
• LogP: 2.48210
• Storage Temp.: 2-8°C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 285.98407
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-(4-Bromophenyl)pentanedioicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-(4-bromophenyl)pentanedioic Acid

There total 9 articles about 3-(4-bromophenyl)pentanedioic 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: 80.0%

ethyl acetoacetate (141-97-9) + 4-bromo-benzaldehyde (1122-91-4) → 3-(4-bromophenyl)pentanedioic acid (1141-24-8)

Guidance literature:

ethyl acetoacetate; 4-bromo-benzaldehyde; With piperidine; at 20 ℃; for 72h;

With water; sodium hydroxide; In ethanol; for 2h; Reflux;

DOI:10.1002/adsc.201200892

Reference yield: 65.0%

3-(4-bromo-phenyl)-2,4-bis-ethoxycarbonyl-pentanedioic acid diethyl ester → 3-(4-bromophenyl)pentanedioic acid (1141-24-8)

Guidance literature:

With hydrogenchloride; In water; acetic acid; for 8h; Heating / reflux;

Reference yield:

diethyl 2,4-diacetyl-3-(4-bromophenyl)pentanedioate (869592-29-0) → 3-(4-bromophenyl)pentanedioic acid (1141-24-8)

Guidance literature:

diethyl 2,4-diacetyl-3-(4-bromophenyl)pentanedioate; With sodium hydroxide; In ethanol; for 2h; Reflux;

With hydrogenchloride; In water; Cooling with ice;

upstream raw materials:

3-phenylglutaric acid

3-(4-bromo-phenyl)-pentanedioic acid diethyl ester

4-bromo-benzaldehyde

piperidine

Downstream raw materials:

3-(4-bromo)-phenylglutaric acid anhydride

5-[N'-(9H-fluoren-9-ylmethoxycarbonyl)-hydrazino]-5-oxo-3-(4-bromo)-phenylpentanoic acid

4-(4-bromo-phenyl)-piperidine-2,6-dione

3-(4-bromophenyl)-4-(5-chloro-2-benzimidazolyl)butanoic acid monohydrochloride