2-(3-Chlorophenyl)propanoic acid

Base Information

• Chemical Name: 2-(3-Chlorophenyl)propanoic acid
• CAS No.: 14161-84-3
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 2916399090
• European Community (EC) Number: 831-064-5
• DSSTox Substance ID: DTXSID90518482
• Nikkaji Number: J805.480K
• Mol file: 14161-84-3.mol

Synonyms:2-(3-Chlorophenyl)propanoic acid;14161-84-3;2-(3-CHLOROPHENYL)PROPIONIC ACID;2-(3-CHLORO-PHENYL)-PROPIONIC ACID;SCHEMBL1917129;2-(3-Chlorophenyl)propanoicacid;Benzeneaceticacid,3-chloromethyl-;DTXSID90518482;YRUBJDXEYFCYCX-UHFFFAOYSA-N;2-(3-chlorophenyl) propanoic acid;MFCD03412454;AKOS008151863;AB14392;DS-16289;2-(3-chlorophenyl)propionic acid, AldrichCPR;EN300-90386;S10089;A885647

Chemical Property of 2-(3-Chlorophenyl)propanoic acid

Chemical Property:

• Boiling Point: 286.567 °C at 760 mmHg
• Flash Point: 127.111 °C
• PSA: 37.30000
• Density: 1.264 g/cm³
• LogP: 2.52810
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Chlorophenyl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Chlorophenyl)propanoic acid

There total 36 articles about 2-(3-Chlorophenyl)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: 98.0%

2-(3-chlorophenyl)acrylic acid (107473-99-4) → (S)-(+)-2-(3'-chlorophenyl)propanoic acid (14161-84-3)

Guidance literature:

With C₄₈H₅₀Cl₄N₂O₂P₂Ru₃; hydrogen; sodium hydrogencarbonate; In methanol; at 20 ℃; for 24h; under 3750.38 Torr; enantioselective reaction; Autoclave;

DOI:10.1021/acs.orglett.6b00748

Reference yield: 89.0%

C10H9ClO2 → 2-(3-chlorophenyl) propanoic acid (14161-84-3)

Guidance literature:

With camphor-10-sulfonic acid; dihydrogen peroxide; In ethyl acetate; at 20 ℃; for 1h;

DOI:10.1039/c4ra11237g

Reference yield: 79.0%

(+)-2S-(3-chlorophenyl)hexan-3,4-dione (172754-51-7) → (S)-(+)-2-(3'-chlorophenyl)propanoic acid (14161-84-3)

Guidance literature:

With sodium periodate; In methanol; water; at 20 ℃;

DOI:10.1016/S0040-4020(97)00837-5

upstream raw materials:

carbon dioxide

1-chloro-3-(1-chloroethyl)benzene

carbon monoxide

3-chloro-α-bromoethylbenzene

Downstream raw materials:

Methyl-2-(3-chlorophenyl) propanoate

α-methyl 3-chlorophenylacetyl chloride

2-(3-chlorophenyl)-2-methylpropanoic acid

2-(3-chlorophenyl) propan-1-amine