4-PHENOXY-N-BUTYRIC ACID ETHYL ESTER

Base Information

• Chemical Name: 4-PHENOXY-N-BUTYRIC ACID ETHYL ESTER
• CAS No.: 2364-59-2
• Molecular Formula: C12H16 O3
• Molecular Weight: 208.257
• Hs Code.: 2918990090
• Mol file: 2364-59-2.mol

Synonyms:Butyricacid, 4-phenoxy-, ethyl ester (8CI); 4-Phenoxybutyric acid ethyl ester; Ethyl4-phenoxybutyrate; NSC 8906

Chemical Property of 4-PHENOXY-N-BUTYRIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 0.000704mmHg at 25°C
• Refractive Index: 1.4960 to 1.4990
• Boiling Point: 307.9°Cat760mmHg
• Flash Point: 125.6°C
• PSA: 35.53000
• Density: 1.044g/cm³
• LogP: 2.40870

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl 4-Phenoxybutyrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-PHENOXY-N-BUTYRIC ACID ETHYL ESTER

There total 13 articles about 4-PHENOXY-N-BUTYRIC ACID ETHYL ESTER 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: 89.0%

Ethyl 4-bromobutyrate (2969-81-5) + phenol (108-95-2,27073-41-2) → γ-phenoxybutyric acid ethyl ester (2364-59-2)

Guidance literature:

With potassium carbonate; sodium iodide; In acetone; for 3h; Reflux;

Reference yield: 89.0%

4-(4-bromophenoxy)butyric acid ethyl ester (157245-87-9) → γ-phenoxybutyric acid ethyl ester (2364-59-2)

Guidance literature:

4-(4-bromophenoxy)butyric acid ethyl ester; With palladium dichloride; In water; at 20 ℃; for 0.0333333h;

With 1,1,3,3-Tetramethyldisiloxane; for 0.3h;

DOI:10.1021/ol5037369

Reference yield: 75.0%

ethanol (64-17-5) + carbon monoxide (201230-82-2) + allyl phenyl ether (1746-13-0) → γ-phenoxybutyric acid ethyl ester (2364-59-2)

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2-methyl-but-2-ene; hydrogen; 1,4-di(diphenylphosphino)-butane; In chloroform; at 120 ℃; for 36h; under 31029.7 Torr; Temperature; Pressure; Reagent/catalyst; Solvent; regioselective reaction; Schlenk technique; Inert atmosphere; Autoclave;

DOI:10.1021/acs.joc.6b00522

upstream raw materials:

4-phenoxybutyronitrile

4-chloro-butyric acid ethyl ester

phenol

Ethyl 4-bromobutyrate

Downstream raw materials:

1-(4-methylpent-3-enyloxy)benzene

4-phenoxybutan-1-ol

4-phenoxy-butyric acid hydrazide

4-phenoxy-butyric acid-(2-hydroxy-ethylamide)

Refernces

• 1、 Treacy, Sean M.,Rovis, Tomislav. "Copper catalyzed C(sp3)-H bond alkylation via photoinduced ligand-to-metal charge transfer". supporting information. p. 2729 - 2735. Retrieved 2021/03/01.
• 2、 Adusumalli, Srinivasa Rao,Rawale, Dattatraya Gautam,Singh, Usha,Tripathi, Prabhanshu,Paul, Rajesh,Kalra, Neetu,Mishra, Ram Kumar,Shukla, Sanjeev,Rai, Vishal. "Single-Site Labeling of Native Proteins Enabled by a Chemoselective and Site-Selective Chemical Technology". supporting information. p. 15114 - 15123. Retrieved 2018/11/10.