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

Base Information

• Chemical Name: 3-(3-Chloro-4-methoxyphenyl)propanoic acid
• CAS No.: 1857-56-3
• Molecular Formula: C10H11 Cl O3
• Molecular Weight: 214.65
• Hs Code.: 2918990090
• European Community (EC) Number: 626-836-1
• DSSTox Substance ID: DTXSID10447265
• Wikidata: Q82266115
• Mol file: 1857-56-3.mol

Synonyms:3-(3-chloro-4-methoxyphenyl)propanoic acid;1857-56-3;3-(3-Chloro-4-methoxyphenyl)propionic acid;Benzenepropanoic acid, 3-chloro-4-methoxy-;MFCD05865217;3-(3-chloro-4-methoxy-phenyl)propanoic Acid;SCHEMBL1207379;DTXSID10447265;MAYOFTZUJPQKET-UHFFFAOYSA-N;BAA85756;AKOS000345233;3-(3-Chloro-4-methoxyphenyl)propionic a;AS-65336;SY066908;3-(3-chloro-4-methoxyphenyl)propanoicacid;CS-0150584;FT-0653484;EN300-27148;3-(3'-Chloro-4'-methoxyphenyl)propionic acid;3-(3-Chloro-4-methoxy-phenyl)-propionic acid;F52903;3-(3-CHLORO-4-METHOXYPHENYL)PROPIONICA&;3-(3-Chloro-4-methoxyphenyl)propionic acid, 97%;A812978;J-011910;Z235345357

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

Chemical Property:

• Vapor Pressure: 2.16E-05mmHg at 25°C
• Melting Point: 115-119 °C(lit.)
• Refractive Index: 1.545
• Boiling Point: 346.5°C at 760 mmHg
• Flash Point: 163.4°C
• PSA: 46.53000
• Density: 1.267g/cm³
• LogP: 2.36580
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 214.0396719
• Heavy Atom Count: 14
• Complexity: 196

Purity/Quality:

97% ^*data from raw suppliers

3-(3-Chloro-4-methoxyphenyl)propionic acid 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

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

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

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

cycl-isopropylidene malonate (2033-24-1) + 3-chloro-4-methoxy-benzaldehyde (4903-09-7) → 3-(3-chloro-4-methoxyphenyl)propionic acid (1857-56-3)

Guidance literature:

With formic acid; triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.1021/jm020120c

Reference yield:

3-chloro-4-methoxy cinnamic acid (58236-76-3,220353-69-5) → 3-(3-chloro-4-methoxyphenyl)propionic acid (1857-56-3)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1039/jr9650000954

Reference yield:

2-Chloroanisole (766-51-8) → 3-(3-chloro-4-methoxyphenyl)propionic acid (1857-56-3)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃ / CS₂

2: (i) sulfur, Mor, (ii) NaOH, EtOH

With aluminium trichloride; In carbon disulfide;

upstream raw materials:

1-(3'-chloro-4'-methoxyphenyl)-1-propanone

3-chloro-4-methoxy cinnamic acid

cycl-isopropylidene malonate

3-chloro-4-methoxy-benzaldehyde

Downstream raw materials:

β-(3-Chlor-4-methoxy-phenyl)-propionyl-homoveratrylamin

3-(3-chloro-4-methoxyphenyl)propionyl chloride

3-[2-(2,4-dimethoxyphenyl)ethyl]-1-cyclopentylpropan-1-one

6-[2-(3-chloro-4-methoxy-phenyl)-ethyl]-6-cyclopentyl-dihydro-pyran-2,4-dione