5-(4-bromophenyl)pentanoic acid

Base Information

• Chemical Name: 5-(4-bromophenyl)pentanoic acid
• CAS No.: 22647-95-6
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.127
• Hs Code.: 2916399090
• European Community (EC) Number: 826-598-0
• Mol file: 22647-95-6.mol

Synonyms:5-(4-bromo-phenyl)-thiophene-2-carbaldehyde;2-Formyl-5-(4-bromophenyl)thiophene;5-(4-Bromphenyl)-2-thiophencarboxaldehyd;5-(4-bromophenyl)-pentanoic acid;5-(p-Bromphenyl)-valeriansaeure;5-(4-bromophenyl)valeric acid;5-p-Bromphenylthiophen-2-aldehyd;5-(p-Bromophenyl)thiophene-2-carboxaldehyde;5-(4-bromophenyl)-2-thiophenecarbaldehyde;

Chemical Property of 5-(4-bromophenyl)pentanoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 387.511oC at 760 mmHg
• Flash Point: 188.16oC
• PSA: 37.30000
• Density: 1.408g/cm3
• LogP: 3.24650
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 256.00989
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99.90% ^*data from raw suppliers

5-(4-Bromophenyl)pentanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CCCCC(=O)O)Br

Technology Process of 5-(4-bromophenyl)pentanoic acid

There total 15 articles about 5-(4-bromophenyl)pentanoic 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: 92.0%

(E)-5-(4-bromophenyl)pent-4-enoic acid (1300698-86-5) → 5-(4-bromophenyl)pentanoic acid (22647-95-6)

Guidance literature:

(E)-5-(4-bromophenyl)pent-4-enoic acid; In isopropyl alcohol; Inert atmosphere;

With hydrogen; for 3h; under 760.051 Torr;

Reference yield: 87.0%

4-bromo-δ-oxobenzenepentanoic acid (35333-26-7) → 5-(4-bromophenyl)pentanoic acid (22647-95-6)

Guidance literature:

With hydrazine hydrate; potassium hydroxide; In 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; at 200 ℃; Dean-Stark; Inert atmosphere;

DOI:10.1039/c3ob41873a

Reference yield:

bromobenzene (108-86-1,52753-63-6) → 5-(4-bromophenyl)pentanoic acid (22647-95-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: aluminum (III) chloride / 0.5 h / 0 °C / Inert atmosphere

1.2: 1 h / 0 - 20 °C / Inert atmosphere

2.1: sodium hydroxide / methanol / 6 h / Reflux; Inert atmosphere

3.1: hydrazine hydrate; potassium hydroxide / 2,2'-[1,2-ethanediylbis(oxy)]bisethanol / 200 °C / Dean-Stark; Inert atmosphere

With aluminum (III) chloride; hydrazine hydrate; potassium hydroxide; sodium hydroxide; In methanol; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol; 1.1: |Friedel-Crafts Acylation / 1.2: |Friedel-Crafts Acylation / 3.1: |Wolff-Kishner Reduction;

DOI:10.1039/c3ob41873a

upstream raw materials:

p-Bromcinnamylidenmalonsaeure

4-bromo-δ-oxobenzenepentanoic acid

5-(4-bromophenyl)pentan-1-ol

4-(1-trans-pentenyl)-bromobenzene

Downstream raw materials:

3-bromo-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one

methyl 5-(4-bromophenyl)pentanoate

3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one

2-(4-methylphenyl)-6,7-dihydro-5H-benzocycloheptene-8-carboxylic acid