4-(4-Biphenylyl)butyric acid

Base Information

• Chemical Name: 4-(4-Biphenylyl)butyric acid
• CAS No.: 6057-60-9
• Molecular Formula: C16H16O2
• Molecular Weight: 240.302
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID30456672
• Nikkaji Number: J8.340B
• Wikidata: Q82279227
• ChEMBL ID: CHEMBL5085595
• Mol file: 6057-60-9.mol

Synonyms:4-(4-BIPHENYLYL)BUTYRIC ACID;6057-60-9;4-(4-phenylphenyl)butanoic Acid;4-([1,1'-Biphenyl]-4-yl)butanoic acid;[1,1'-Biphenyl]-4-butanoic acid;4-(biphenyl-4-yl)butanoic acid;(1,1'-biphenyl)-4-butanoic acid;4-(4-Biphenylyl)butyricacid;4-biphenyl-4-yl-butyric acid;4-Biphenyl Butanoic Acid;4-biphenyl-4-ylbutyric acid;4-(4-Biphenyl)butyric acid;4-BIPHENYLBUTYRIC ACID;SCHEMBL1651413;4-(4-biphenylyl)-butyric acid;CHEMBL5085595;DTXSID30456672;XSFAQQLHYUBFKV-UHFFFAOYSA-N;4-(4'-Biphenylyl) butanoic acid;4- (4'-Biphenylyl) butanoic acid;MFCD03427545;AKOS005856823;DS-12523;CS-0156420;FT-0602664;A832794;J-514512

Chemical Property of 4-(4-Biphenylyl)butyric acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 119.5°C
• Refractive Index: 1.576
• Boiling Point: 414.365 °C at 760 mmHg
• Flash Point: 311.122 °C
• PSA: 37.30000
• Density: 1.117g/cm³
• LogP: 3.76090
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

98%Min ^*data from raw suppliers

4-(Biphenyl-4-yl)butanoicAcid ^*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)CCCC(=O)O

Technology Process of 4-(4-Biphenylyl)butyric acid

There total 6 articles about 4-(4-Biphenylyl)butyric 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:

1-p-biphenylyl-3-chloropropane (61221-46-3) → (4-biphenylyl)acetic acid (5728-52-9) + 4-(4-phenylphenyl)butanoic acid (6057-60-9) + 4-propyl-1,1'-biphenyl (10289-45-9) + 2-([1,1'-biphenyl]-4-yl)butanoic acid (959-10-4)

Guidance literature:

With Cs/Na/K alloy; In tetrahydrofuran; at -75 ℃; Further byproducts given. Yields of byproduct given;

DOI:10.1021/jo00136a025

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 1-p-biphenylyl-3-chloropropane (61221-46-3) → (4-biphenylyl)acetic acid (5728-52-9) + 4-(4-phenylphenyl)butanoic acid (6057-60-9) + 7-phenylspiro<3.5>nona-5,8-diene-7-carboxylic acid (61221-49-6) + 4-propyl-1,1'-biphenyl (10289-45-9)

Guidance literature:

With Cs/Na/K alloy; Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given; 1.) THF, -75 deg C, 21 s;

DOI:10.1021/jo00136a025

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + 1-p-biphenylyl-3-chloropropane (61221-46-3) → (4-biphenylyl)acetic acid (5728-52-9) + 4-Methylbiphenyl (644-08-6) + 4-(4-phenylphenyl)butanoic acid (6057-60-9) + 7-phenylspiro<3.5>nona-5,8-diene-7-carboxylic acid (61221-49-6) + 4-propyl-1,1'-biphenyl (10289-45-9) + 2-([1,1'-biphenyl]-4-yl)butanoic acid (959-10-4)

Guidance literature:

With Cs/Na/K alloy; Product distribution; different reagents, solvents, times, and temperatures; other biphenylalkyl chlorides;

DOI:10.1021/jo00136a025

upstream raw materials:

carbon dioxide

1-p-biphenylyl-3-chloropropane

biphenyl

4-allylbiphenyl

Downstream raw materials:

MRJ₁₄

MRJ₁₆

3-(p-phenyl)benzoylpropionic acid

6-phenyl-1,2,3,4-tetrahydronaphthalene

Refernces

• 1、 Mahmoodi,Jazayri. "Direct synthesis of γ-butyrolactones via γ-phenyl substituted butyric acids mediated benzyl radical cyclization". . p. 1467 - 1475. Retrieved 2007/10/03.