3-(4-Phenylphenyl)propanoic acid

Base Information

• Chemical Name: 3-(4-Phenylphenyl)propanoic acid
• CAS No.: 35888-99-4
• Molecular Formula: C15H14O2
• Molecular Weight: 226.275
• Hs Code.: 2916399090
• European Community (EC) Number: 670-349-7
• DSSTox Substance ID: DTXSID00189445
• Nikkaji Number: J2.183.651F
• Wikidata: Q27451537
• Mol file: 35888-99-4.mol

Synonyms:2(4-biphenyl)propionic acid;2(para-biphenyl)propionic acid

Chemical Property of 3-(4-Phenylphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 3.94E-07mmHg at 25°C
• Melting Point: 149-152℃
• Refractive Index: 1.585
• Boiling Point: 400.4 °C at 760 mmHg
• PKA: 4.65±0.10(Predicted)
• Flash Point: 297.2 °C
• PSA: 37.30000
• Density: 1.138 g/cm³
• LogP: 3.37080
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099379685
• Heavy Atom Count: 17
• Complexity: 235

Purity/Quality:

97% ^*data from raw suppliers

3-(4-Biphenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)O

Technology Process of 3-(4-Phenylphenyl)propanoic acid

There total 31 articles about 3-(4-Phenylphenyl)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: 95.0%

ethyl 3-([1,1′-biphenyl]-4-yl)propanoate (40796-00-7) → 3-(4-biphenylyl)propionic acid (35888-99-4)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol; at 25 ℃; for 20h;

DOI:10.1021/jm061414r

Reference yield: 76.0%

(2E)-3-(1,1'-biphenyl-4-yl)acrylic acid (13026-23-8,88241-67-2,88241-65-0) → 3-(4-biphenylyl)propionic acid (35888-99-4)

Guidance literature:

With palladium on activated charcoal; In acetone; at 20 ℃; for 2h;

DOI:10.1021/jm201327p

Reference yield: 75.0%

4-iodo-biphenyl (1591-31-7) + propionic acid (802294-64-0,79-09-4) → 3-(4-biphenylyl)propionic acid (35888-99-4)

Guidance literature:

With disodium phosphate heptahydrate; N-acetyl-β-alanine; palladium diacetate; silver(l) oxide; at 20 - 80 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/chem.201705449

upstream raw materials:

1-biphenyl-4-yl-propan-1-one

3-biphenyl-4-yl-propionic acid amide

bromo-(4-phenyl-benzyl)-malonic acid

4-phenylcinnamic acid

Downstream raw materials:

(2E)-3-(1,1'-biphenyl-4-yl)acrylic acid

4-(3-Hydroxypropyl)[1,1'-biphenyl]

(4S)-4-benzyl-3-(3-[1,1'-biphenyl-4-yl]propanoyl)-1,3-oxazolidin-2-one

(2R)-3-(benzyloxy)-2-([1,1'-biphenyl-4-yl]methyl)propanoic acid