2-(3-Chlorophenoxy)propionic acid

Base Information

• Chemical Name: 2-(3-Chlorophenoxy)propionic acid
• CAS No.: 101-10-0
• Deprecated CAS: 87860-36-4
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 29163990
• European Community (EC) Number: 202-915-2
• UNII: 28FLH86ZOS
• DSSTox Substance ID: DTXSID9034232
• Nikkaji Number: J1.081.303D,J4.992A
• Wikidata: Q27254314
• ChEMBL ID: CHEMBL43642
• Mol file: 101-10-0.mol

Synonyms:2-(3-chlorophenoxy)propionic acid;Cloprop

Chemical Property of 2-(3-Chlorophenoxy)propionic acid

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 0.00015mmHg at 25°C
• Melting Point: 113-115 °C(lit.)
• Refractive Index: 1.5230 (estimate)
• Boiling Point: 318.5 °C at 760 mmHg
• PKA: 3.13±0.10(Predicted)
• Flash Point: 146.4 °C
• PSA: 46.53000
• Density: 1.307 g/cm³
• LogP: 2.19190
• Storage Temp.: 0-6°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 184

Purity/Quality:

98%TC ^*data from raw suppliers

2-(3-Chlorophenoxy)propionic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Herbicides, Chlorophenoxy
• Canonical SMILES: CC(C(=O)O)OC1=CC(=CC=C1)Cl
• Uses: 2-(3-Chlorophenoxy)propionic acid

Technology Process of 2-(3-Chlorophenoxy)propionic acid

There total 29 articles about 2-(3-Chlorophenoxy)propionic 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%

2-(3-Chloro-phenoxy)-propionic acid ethyl ester (52095-00-8) → 2-(3-chlorophenoxy)propionic acid (101-10-0)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; at 80 ℃; for 3h; Inert atmosphere;

DOI:10.1021/jm400241j

Reference yield:

3-monochlorophenol (108-43-0) + 2-Bromopropionic acid (598-72-1,10327-08-9) → 2-(3-chlorophenoxy)propionic acid (101-10-0)

Guidance literature:

With sodium hydroxide; In ethanol; for 24h; Heating;

DOI:10.1021/jm00037a023

Reference yield:

3-monochlorophenol (108-43-0) + (R,S)-2-chloropropionic acid (598-78-7) → 2-(3-chlorophenoxy)propionic acid (101-10-0)

Guidance literature:

With sodium hydroxide; for 1h; Heating;

upstream raw materials:

sodium m-chlorophenoxide

Ethyl 2-bromopropionate

methyl 2-(3-chlorophenoxy)propionate

3-monochlorophenol

Downstream raw materials:

2-(3-Chloro-phenoxy)-propionyl chloride

(R)-(+)-2-(3-chlorophenoxy)propionic acid

(S)-(+)-2-methyl-2-(3-chlorophenoxy)ethanol

(R)-2-methyl-2-(3-chlorophenoxy)ethanol

Refernces

• 1、 Liu, Bin,Song, Runjiang,Xu, Jun,Majhi, Pankaj Kumar,Yang, Xing,Yang, Song,Jin, Zhichao,Chi, Yonggui Robin. "Access to Optically Enriched α-Aryloxycarboxylic Esters via Carbene-Catalyzed Dynamic Kinetic Resolution and Transesterification". supporting information. p. 3335 - 3338. Retrieved 2020/04/30.
• 2、 Kao, Min-Fang,Lu, Pei-Yu,Kao, Jou-Yan,Wang, Pei-Yun,Wu, An-Chi,Tsai, Shau-Wei. "(R,S)-2-chlorophenoxyl pyrazolides as novel substrates for improving lipase-catalyzed hydrolytic resolution". experimental part. p. 60 - 66. Retrieved 2012/05/04.