4-(3-Chloro-4-methoxyphenyl)benzoic acid

Base Information

• Chemical Name: 4-(3-Chloro-4-methoxyphenyl)benzoic acid
• CAS No.: 107517-13-5
• Molecular Formula: C₁₄H₁₁ClO₃
• Molecular Weight: 262.693
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID30564125
• Wikidata: Q82448721
• Mol file: 107517-13-5.mol

Synonyms:107517-13-5;4-(3-CHLORO-4-METHOXYPHENYL)BENZOIC ACID;4-(3-CHLORO-2-FLUOROPHENYL)BENZOIC ACID;DTXSID30564125;MFCD11932293;AKOS005820992;3'-Chloro-4'-methoxy[1,1'-biphenyl]-4-carboxylic acid

Chemical Property of 4-(3-Chloro-4-methoxyphenyl)benzoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.84430
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 262.0396719
• Heavy Atom Count: 18
• Complexity: 287

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)Cl

Technology Process of 4-(3-Chloro-4-methoxyphenyl)benzoic acid

There total 6 articles about 4-(3-Chloro-4-methoxyphenyl)benzoic 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:

→ 3'-chloro-4'-methoxy-biphenyl-4-carboxylic acid (107517-13-5)

Guidance literature:

With potassium permanganate;

DOI:10.1021/ja01300a068

Reference yield:

4-(4'-methoxy-biphenyl-4-yl)-4-oxo-butyric acid (36330-87-7) → 3'-chloro-4'-methoxy-biphenyl-4-carboxylic acid (107517-13-5)

Guidance literature:

With sodium hypochlorite;

DOI:10.1021/ja01300a068

Reference yield:

4-methoxylbiphenyl (613-37-6) → 3'-chloro-4'-methoxy-biphenyl-4-carboxylic acid (107517-13-5)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuryl dichloride / 1 h / Reflux

2: aluminum (III) chloride / 1,2-dichloro-ethane

3: sodium hypobromide

With aluminum (III) chloride; sulfuryl dichloride; sodium hypobromide; In 1,2-dichloro-ethane;

DOI:10.1039/c1jm12131f

upstream raw materials:

N,N-dichloro-p-toluenesulfonamide

4'-methoxy-biphenyl-4-carboxylic acid

4-(4'-methoxy-biphenyl-4-yl)-4-oxo-butyric acid

4-methoxylbiphenyl

Downstream raw materials:

C₄₁H₄₅ClO₇

C₄₄H₅₁ClO₇

C₄₃H₄₉ClO₇

C₄₂H₄₇ClO₇