3-(4-Chlorophenyl)-3-phenylpropanoic acid

Base Information

• Chemical Name: 3-(4-Chlorophenyl)-3-phenylpropanoic acid
• CAS No.: 21998-30-1
• Molecular Formula: C₁₅H₁₃ClO₂
• Molecular Weight: 260.72
• DSSTox Substance ID: DTXSID901284476
• Mol file: 21998-30-1.mol

Synonyms:3-(4-chlorophenyl)-3-phenylpropanoic acid;21998-30-1;SCHEMBL6002264;DTXSID901284476;AKOS005172109;4-Chloro-beta-phenylbenzenepropanoic acid;3-(4-chlorophenyl)-3-phenylpropanoicacid;3-(4-chlorophenyl)-3-phenylpropionic acid;CS-0336384

Chemical Property of 3-(4-Chlorophenyl)-3-phenylpropanoic acid

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 260.0604073
• Heavy Atom Count: 18
• Complexity: 266

Purity/Quality:

98%min ^*data from raw suppliers

3-(4-Chlorophenyl)-3-phenylpropanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3-(4-Chlorophenyl)-3-phenylpropanoic acid

There total 13 articles about 3-(4-Chlorophenyl)-3-phenylpropanoic 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: 96.0%

4-Chlorophenylboronic acid (1679-18-1) + Cinnamic acid (621-82-9) → 3-(4-chlorophenyl)-3-phenylpropanoic acid (21998-30-1,129638-94-4)

Guidance literature:

With [2,2]bipyridinyl; palladium diacetate; acetic acid; In tetrahydrofuran; water; at 80 ℃; for 24h; Schlenk technique;

DOI:10.1021/acs.joc.7b01248

Reference yield: 95.0%

p-chlorocinnamic acid (1615-02-7,940-62-5) + phenylboronic acid (98-80-6) → 3-(4-chlorophenyl)-3-phenylpropanoic acid (21998-30-1,129638-94-4)

Guidance literature:

With dichloro(2,2'-bipyridine)palladium(II); silver nitrate; In water; at 60 ℃; for 12h; Green chemistry;

DOI:10.1016/j.tetlet.2018.02.013

Reference yield: 95.0%

(E)-3-phenylacrylic acid (140-10-3) + 4-Chlorophenylboronic acid (1679-18-1) → 3-(4-chlorophenyl)-3-phenylpropanoic acid (21998-30-1,129638-94-4)

Guidance literature:

With dichloro(2,2'-bipyridine)palladium(II); silver nitrate; In water; at 60 ℃; for 12h; Green chemistry;

DOI:10.1016/j.tetlet.2018.02.013

upstream raw materials:

(E)-3-phenylacrylic acid

chlorobenzene

ethanol

(Z)-3-(4-chlorophenyl)-3-phenylacrylic acid

Downstream raw materials:

2-(4-chloro-phenyl)-2-phenyl-ethylamine

3-(4-chlorophenyl)-2,3-dihydro-1H-inden-1-one

3-(4-chlorophenyl)-3-phenylpropan-1-ol

1-chloro-4-(2-methoxy-2-phenylethyl)benzene

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