(E)-3-(4-pentylphenyl)but-2-enoic acid

Base Information

• Chemical Name: (E)-3-(4-pentylphenyl)but-2-enoic acid
• CAS No.: 72770-11-7
• Molecular Formula: C₁₅H₂₀O₂
• Molecular Weight: 232.323
• European Community (EC) Number: 800-058-4
• Mol file: 72770-11-7.mol

Synonyms:(E)-3-(4-pentylphenyl)but-2-enoic acid;72770-11-7;SCHEMBL2487902;SCHEMBL2487907;CRVLBCGJELEIKF-VAWYXSNFSA-N;(E)-3-(4-pentylphenyl)but-2-enoicacid;(E)-3-(4-pentylphenyl) but-2-enoic acid;SR-01000398910;SR-01000398910-1

Chemical Property of (E)-3-(4-pentylphenyl)but-2-enoic acid

Chemical Property:

• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 232.146329876
• Heavy Atom Count: 17
• Complexity: 260

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC1=CC=C(C=C1)C(=CC(=O)O)C
• Isomeric SMILES: CCCCCC1=CC=C(C=C1)/C(=C/C(=O)O)/C

Technology Process of (E)-3-(4-pentylphenyl)but-2-enoic acid

There total 3 articles about (E)-3-(4-pentylphenyl)but-2-enoic 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:

(E)-ethyl 3-(4-pentylphenyl) but-2-enoate (119425-84-2) → (E)-3-(4-pentylphenyl)but-2-enoic acid (72770-11-7)

Guidance literature:

With potassium hydroxide; In ethanol; at 45 ℃; for 3h;

DOI:10.1021/acs.jmedchem.5b00366

Reference yield:

ethyl (triphenylphosphoranylidene)acetate (1099-45-2) → (E)-3-(4-pentylphenyl)but-2-enoic acid (72770-11-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 48 h / 150 °C / Inert atmosphere

2: potassium hydroxide / ethanol / 3 h / 45 °C

With potassium hydroxide; In ethanol;

DOI:10.1021/acs.jmedchem.5b00366

Reference yield:

→ (E)-3-(4-pentylphenyl)but-2-enoic acid (72770-11-7)

Guidance literature:

upstream raw materials:

ethyl (triphenylphosphoranylidene)acetate

(E)-ethyl 3-(4-pentylphenyl) but-2-enoate

Downstream raw materials:

(E)-3-(4-pentylphenyl)but-2-enoyl chloride