2-Phenoxybutyryl chloride

Base Information

• Chemical Name: 2-Phenoxybutyryl chloride
• CAS No.: 41717-60-6
• Molecular Formula: C10H11ClO2
• Molecular Weight: 198.6461
• European Community (EC) Number: 255-513-4
• DSSTox Substance ID: DTXSID00961920
• Nikkaji Number: J136.586J
• Mol file: 41717-60-6.mol

Synonyms:2-phenoxybutanoyl chloride;2-Phenoxybutyryl chloride;41717-60-6;Butanoyl chloride, 2-phenoxy-;EINECS 255-513-4;2-phenoxybutanoylchloride;SCHEMBL2884339;DTXSID00961920;(+)-2-Phenoxy-butanoyl chloride;CMWPBGIBHBCVSW-UHFFFAOYSA-N;AKOS006273804;EN300-188091;J-500036

Chemical Property of 2-Phenoxybutyryl chloride

Chemical Property:

• Vapor Pressure: 0.016mmHg at 25°C
• Boiling Point: 255.8°Cat760mmHg
• Flash Point: 95.3°C
• PSA: 26.30000
• Density: 1.156g/cm³
• LogP: 2.60940
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 198.0447573
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

2-phenoxybutanoylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Phenoxybutyryl chloride

There total 3 articles about 2-Phenoxybutyryl 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:

2-phenoxybutyric acid (13794-14-4) → 2-phenoxybutyryl chloride (41717-60-6,82504-93-6,82504-96-9)

Guidance literature:

With phosphorus pentachloride; at 85 ℃;

Reference yield:

phenol (108-95-2,27073-41-2) → 2-phenoxybutyryl chloride (41717-60-6,82504-93-6,82504-96-9)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH / ethanol / 24 h / Heating

2: SOCl₂ / 1 h / Heating

With sodium hydroxide; thionyl chloride; In ethanol;

DOI:10.1021/jm00037a023

Reference yield:

→ 2-phenoxybutyryl chloride (41717-60-6,82504-93-6,82504-96-9)

Guidance literature:

Entspr. Carbonsaeure , SOCl2;

upstream raw materials:

2-phenoxybutyric acid

phenol

Downstream raw materials:

2-phenoxy-butyric acid anilide

5-(α-Phenoxy-(n)-butyryloxy)-3-methyl-1-(2-(β-naphthyloxy)-ethyl)-pyrazole

(R)-(-)-N-(2-Phenoxybutyryl)-N-(2-pyridyl)-1-(3,3-dimethyl-piperidino)-2-aminopropan

N-[(S)-2-(3,3-Dimethyl-piperidin-1-yl)-1-methyl-ethyl]-2-phenoxy-N-pyridin-2-yl-butyramide

Refernces

• 1、 Zhai, Weixu,Flynn, Neil,Longhi, Daniel A.,Tino, Joseph A.,Murphy, Brian J.,Slusarchyk, Dorothy,Gordon, David A.,Pendri, Anna,Shi, Shuhao,Stoffel, Robert,Ma, Baoqing,Sofia, Michael J.,Gerritz, Samuel W.. "Discovery and optimization of (R)-prolinol-derived agonists of the Growth Hormone Secretagogue receptor (GHSR)". supporting information; experimental part. p. 5083 - 5086. Retrieved 2009/07/18.