3-(2,5-Dichlorophenyl)propanoic acid

Base Information

• Chemical Name: 3-(2,5-Dichlorophenyl)propanoic acid
• CAS No.: 68034-76-4
• Molecular Formula: C9H8Cl2O2
• Molecular Weight: 219.067
• European Community (EC) Number: 809-708-1
• Mol file: 68034-76-4.mol

Synonyms:3-(2,5-dichlorophenyl)propanoic acid;68034-76-4;MFCD06823958;SCHEMBL4699761;3-(2,5-dichlorophenyl)propanoicacid;AKOS014651611;DA-03677;DS-19455;SY306082;CS-0059865;F52818;EN300-1984836;3-(2,5-Dichlorophenyl)propanoic acid, AldrichCPR;F2167-9450

Chemical Property of 3-(2,5-Dichlorophenyl)propanoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 3.01060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 217.9901349
• Heavy Atom Count: 13
• Complexity: 185

Purity/Quality:

HPLC≥98% ^*data from raw suppliers

3-(2,5-Dichlorophenyl)propanoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CCC(=O)O)Cl

Technology Process of 3-(2,5-Dichlorophenyl)propanoic acid

There total 6 articles about 3-(2,5-Dichlorophenyl)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%

3-(2,5-dichlorophenyl)acrylic acid (20595-47-5) → 3-(2,5-dichlorophenyl)propanoic acid (68034-76-4)

Guidance literature:

With hydrogen; platinum(IV) oxide; In ethyl acetate; at 20 ℃; for 24h;

DOI:10.1016/S0968-0896(03)00059-2

Reference yield:

2,5-dichloroiodobenzene (29682-41-5) → 3-(2,5-dichlorophenyl)propanoic acid (68034-76-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / Et₃N; Pd(OAc)2 / acetonitrile / 1 h / 110 °C

2: 95 percent / H₂ / PtO₂ / ethyl acetate / 24 h / 20 °C

With palladium diacetate; hydrogen; triethylamine; platinum(IV) oxide; In ethyl acetate; acetonitrile; 1: Heck coupling;

DOI:10.1016/S0968-0896(03)00059-2

Reference yield:

1-(2,5-dichlorophenyl)-1-propanone (99846-93-2) → 3-(2,5-dichlorophenyl)propanoic acid (68034-76-4)

Guidance literature:

With morpholine; sulfur; at 180 ℃; Behandeln des Reaktionsprodukts mit aethanol. KOH;

upstream raw materials:

1-(2,5-dichlorophenyl)-1-propanone

3-(2,5-dichlorophenyl)acrylic acid

2,5-dichloroiodobenzene

para-dichlorobenzene

Downstream raw materials:

4,7-dichloro-2,3-dihydro-1H-inden-1-one

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