Ethyl 3-(4-bromophenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(4-bromophenyl)propanoate
• CAS No.: 40640-98-0
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.127
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID00508374
• Nikkaji Number: J2.657.762D
• Wikidata: Q72511224
• Mol file: 40640-98-0.mol

Synonyms:ethyl 3-(4-bromophenyl)propanoate;40640-98-0;3-(4-Bromophenyl)propionic acid ethyl ester;Benzenepropanoic acid, 4-bromo-, ethyl ester;3-(4-BROMO-PHENYL)-PROPIONIc acid ETHYL ESTER;ethyl 3-(4-bromophenyl)propionate;MFCD07772961;Ethyl3-(4-Bromophenyl)propanoate;ethyl 3-(4-bromophenyl)-propionate;3-(4-bromophenyl)propanoic acid ethyl ester;SCHEMBL2293786;DTXSID00508374;STMHGPFYLQOGJD-UHFFFAOYSA-N;AB3728;AKOS015838750;AM85757;CS-W012554;GS-4083;SY021681;FT-0656708;3-(4-bromophenyl)-propionic acid ethyl ester;A25114;J-520804

Chemical Property of Ethyl 3-(4-bromophenyl)propanoate

Chemical Property:

• Vapor Pressure: 0.000933mmHg at 25°C
• Boiling Point: 303.4°C at 760 mmHg
• Flash Point: 137.3°C
• PSA: 26.30000
• Density: 1.343g/cm³
• LogP: 2.94480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 256.00989
• Heavy Atom Count: 14
• Complexity: 174

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-(4-bromophenyl)propanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=C(C=C1)Br
• Uses: Ethyl 3-(4-bromophenyl)propanoate

Technology Process of Ethyl 3-(4-bromophenyl)propanoate

There total 14 articles about Ethyl 3-(4-bromophenyl)propanoate 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%

3-(4-bromophenyl)propionic acid (1643-30-7) + Diethyl carbonate (105-58-8,76619-83-5) → 3-(4-bromo-phenyl)-propionic acid ethyl ester (40640-98-0)

Guidance literature:

With Novozym 435; acylase I from Aspergillus melleus; amano lipase AK from pseudomonas fluorescens; lipase from wheat germ; papaine; In toluene; at 40 ℃; for 48h; Mechanism; Enzymatic reaction;

DOI:10.1016/j.molcatb.2014.02.020

Reference yield: 100.0%

ethyl 4-bromocinnamate (24393-53-1,136265-11-7,15795-20-7) → 3-(4-bromo-phenyl)-propionic acid ethyl ester (40640-98-0)

Guidance literature:

With C₃₇H₄₇IrN₂P; hydrogen; In dichloromethane; at -78 - 20 ℃;

DOI:10.1039/c1cc14367k

Reference yield: 95.0%

ethyl (E)-3-(4-bromophenyl)-2-propenoate (24393-53-1,136265-11-7,15795-20-7) → 3-(4-bromo-phenyl)-propionic acid ethyl ester (40640-98-0)

Guidance literature:

With [(COD)Ir(dimethylphenylphosphine)(1,3-bis(2,4,6-trimethylphenyl)imidazolin-2-ylidene)](tetrakis(3,5-bis(trifluoromethyl)phenyl)borate); hydrogen; In dichloromethane; at -78 - 25 ℃; for 2h; under 760.051 Torr; chemoselective reaction;

DOI:10.1002/chem.201504825

upstream raw materials:

1,4-bromoiodobenzene

2-ethoxycarbonyethylzinc iodide

1.4-dibromobenzene

ethyl acrylate

Downstream raw materials:

3-(4-bromophenyl)propanol

3-(4-bromophenyl)propyloxyamine hydrochloride

C₁₈H₂₂BrN₃O₆

2-(4-bromobenzyl)acrylic acid

Refernces

• 1、 -. "Method for preparing organic carboxylic ester through combined catalysis of aryl bidentate phosphine ligand". Paragraph 0054. . Retrieved 2020/05/29.
• 2、 Pindwal, Aradhana,Patnaik, Smita,Everett, William C.,Ellern, Arkady,Windus, Theresa L.,Sadow, Aaron D.. "Cerium-Catalyzed Hydrosilylation of Acrylates to Give α-Silyl Esters". . p. 628 - 631. Retrieved 2017/01/07.