2-PHENOXYPROPIONYL CHLORIDE

Base Information

• Chemical Name: 2-PHENOXYPROPIONYL CHLORIDE
• CAS No.: 122-35-0
• Deprecated CAS: 84771-76-6
• Molecular Formula: C9H9ClO2
• Molecular Weight: 184.622
• Hs Code.: 2918990090
• European Community (EC) Number: 204-536-8
• NSC Number: 9825
• UNII: 56X8A108HG
• DSSTox Substance ID: DTXSID50870477
• Nikkaji Number: J71.650B
• Wikidata: Q27261439
• Mol file: 122-35-0.mol

Synonyms:Propionylchloride, 2-phenoxy- (6CI,7CI,8CI);2-Phenoxypropanoyl chloride;2-Phenoxypropionic acid chloride;2-Phenoxypropionyl chloride;NSC 9825;a-Phenoxypropionyl chloride;

Chemical Property of 2-PHENOXYPROPIONYL CHLORIDE

Chemical Property:

• Vapor Pressure: 0.0447mmHg at 25°C
• Refractive Index: 1.5132
• Boiling Point: 237.5 °C at 760 mmHg
• Flash Point: 88.3 °C
• PSA: 26.30000
• Density: 1.188g/cm³
• LogP: 2.21930
• Sensitive.: Moisture Sensitive
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 184.0291072
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

99.9% ^*data from raw suppliers

2-Phenoxypropionyl Chloride >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C(=O)Cl)OC1=CC=CC=C1

Technology Process of 2-PHENOXYPROPIONYL CHLORIDE

There total 8 articles about 2-PHENOXYPROPIONYL CHLORIDE 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: 100.0%

2-phenoxypropionic acid (940-31-8) → 2-phenoxypropanoic acid chloride (122-35-0)

Guidance literature:

In thionyl chloride;

Reference yield:

2-phenoxypropanoic acid sodium salt → 2-phenoxypropanoic acid chloride (122-35-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 70 percent / 85percent H₃PO₄

2: 96 percent / SOCl₂ / dimethylformamide / Heating

With thionyl chloride; phosphoric acid; In N,N-dimethyl-formamide;

DOI:10.1021/ja00338a027

Reference yield:

phenol (108-95-2,27073-41-2) → 2-phenoxypropanoic acid chloride (122-35-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 70 percent / NaH, HMPT / tetrahydrofuran / Ambient temperature

2: 70 percent / 85percent H₃PO₄

3: 96 percent / SOCl₂ / dimethylformamide / Heating

With N,N,N,N,N,N-hexamethylphosphoric triamide; thionyl chloride; phosphoric acid; sodium hydride; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/ja00338a027

upstream raw materials:

2-phenoxypropionic acid

phenol

sodium phenoxide

potassium phenolate

Downstream raw materials:

2-phenoxy-propionic acid-(2-dimethylamino-ethyl ester)

ethyl 2-phenoxypropionate

N?benzyl?2?phenoxypropanamide

2-phenoxy-propionic acid phenyl ester

Refernces

• 1、 Korolyova, Marina A.,Vakarov, Sergey A.,Kozhevnikov, Dmitry N.,Gruzdev, Dmitry A.,Levit, Galina L.,Krasnov, Victor P.. "Mutual Kinetic Resolution of Racemic 3,4-Dihydro-3-methyl-2H-[1,4]benzoxazines with Acyl Chlorides of Racemic O-Phenyllactic Acids and DFT Modelling of Transition States". supporting information. p. 4577 - 4585. Retrieved 2018/09/06.
• 2、 Li, Zheng,Wang, Xuekun,Xu, Xue,Yang, Jianyong,Qiu, Qianqian,Qiang, Hao,Huang, Wenlong,Qian, Hai. "Design, synthesis and structure-activity relationship studies of novel phenoxyacetamide-based free fatty acid receptor 1 agonists for the treatment of type 2 diabetes". supporting information. p. 6666 - 6672. Retrieved 2015/10/19.