3-(3-Chlorophenoxy)propionic acid

Base Information

• Chemical Name: 3-(3-Chlorophenoxy)propionic acid
• CAS No.: 7170-50-5
• Molecular Formula: C9H9ClO3
• Molecular Weight: 200.622
• Hs Code.: 2918990090
• European Community (EC) Number: 230-522-6
• UNII: R2C6P3JK39
• DSSTox Substance ID: DTXSID90221924
• Nikkaji Number: J227.422A
• Wikidata: Q83099971
• Mol file: 7170-50-5.mol

Synonyms:3-(3-chlorophenoxy)propanoic acid;7170-50-5;3-(3-Chlorophenoxy)propionic acid;3-(3-CHLORO-PHENOXY)-PROPIONIC ACID;EINECS 230-522-6;MFCD00151673;3-(3-Chlorophenoxy)propionicAcid;AN-584/13156516;R2C6P3JK39;SCHEMBL3728368;DTXSID90221924;AC1669;AKOS000130665;Propionic acid, 3-(m-chlorophenoxy)-;AB03979;FS-5603;SY008354;CS-0005243;FT-0691892;EN300-37419;PROPANOIC ACID, 3-(3-CHLOROPHENOXY)-;A837298;Z240085186

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

Chemical Property:

• Vapor Pressure: 0.000298mmHg at 25°C
• Melting Point: 82-83 °C
• Boiling Point: 308.3°C at 760 mmHg
• PKA: 4.17±0.10(Predicted)
• Flash Point: 140.2°C
• PSA: 46.53000
• Density: 1.311g/cm³
• LogP: 2.19350
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 200.0240218
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

3-(3-Chlorophenoxy)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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

There total 7 articles about 3-(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:

chloropropionic acid (107-94-8) + 3-monochlorophenol (108-43-0) → 3-(3-chloro-phenoxy)-propionic acid (7170-50-5)

Guidance literature:

With sodium hydroxide;

Reference yield:

β-(m-Chlorophenoxy)propionitril (46119-02-2) → 3-(3-chloro-phenoxy)-propionic acid (7170-50-5)

Guidance literature:

With hydrogenchloride; water; Reflux;

DOI:10.1016/j.cclet.2020.01.001

Reference yield:

β-Propiolactone (57-57-8) → 3-(3-chloro-phenoxy)-propionic acid (7170-50-5)

Guidance literature:

With water; at 100 ℃;

DOI:10.1021/ja01170a078

upstream raw materials:

3-Bromopropionic acid

3-monochlorophenol

chloropropionic acid

β-Propiolactone

Downstream raw materials:

3-<3-Chlor-4-propionyl-phenoxy>-propionsaeure

3-(4-Butyryl-3-chloro-phenoxy)-propionic acid

6-chloro-chroman-4-one

3-benzylaminomethyl-7-chloro-chroman-4-one

Refernces

• 1、 Joshi, Shrinivas D.,More, Uttam A.,Koli, Deepshikha,Kulkarni, Manoj S.,Nadagouda, Mallikarjuna N.,Aminabhavi, Tejraj M.. "Synthesis, evaluation and in silico molecular modeling of pyrroyl-1,3,4-thiadiazole inhibitors of InhA". . p. 151 - 167. Retrieved 2015/03/30.
• 2、 Crosby, Ian T.,Shin, James K.,Capuano, Ben. "The application of the schmidt reaction and beckmann rearrangement to the synthesis of bicyclic lactams: Some mechanistic considerations". scheme or table. p. 211 - 226. Retrieved 2011/06/21.