Ethyl 3-(2-bromophenyl)propanoate

Base Information

• Chemical Name: Ethyl 3-(2-bromophenyl)propanoate
• CAS No.: 135613-33-1
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.127
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10442513
• Wikidata: Q72511219
• Mol file: 135613-33-1.mol

Synonyms:Ethyl 3-(2-bromophenyl)propanoate;135613-33-1;3-(2-Bromo-phenyl)-propionic acid ethyl ester;3-(2-Bromophenyl)propionic acid ethyl ester;Benzenepropanoic acid, 2-bromo-, ethyl ester;3-(2-bromophenyl)propanoic acid ethyl ester;Ethyl3-(2-bromophenyl)propanoate;SCHEMBL1511313;DTXSID10442513;ZKICRDRBPPOQLM-UHFFFAOYSA-N;Ethyl 2-bromo-3-benzenepropanoate;MFCD07772962;2-bromo-hydrocinnamic acid ethyl ester;AKOS015838749;AM85563;AC-28026;DS-14530;CS-0151588;FT-0651802;A25118

Chemical Property of Ethyl 3-(2-bromophenyl)propanoate

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.53
• Boiling Point: 299.382 °C at 760 mmHg
• Flash Point: 134.862 °C
• PSA: 26.30000
• Density: 1.343 g/cm³
• LogP: 2.94480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 256.00989
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

Ethyl3-(2-bromophenyl)propanoate 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC1=CC=CC=C1Br

Technology Process of Ethyl 3-(2-bromophenyl)propanoate

There total 7 articles about Ethyl 3-(2-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: 95.0%

ethanol (64-17-5) + 3-(2-bromophenyl)propionic acid (15115-58-9) → 3-(2-bromophey)propionic acid ethyl ester (135613-33-1)

Guidance literature:

With toluene-4-sulfonic acid; for 22h; Heating;

DOI:10.1021/jo952194k

Reference yield: 89.0%

acrylaldehyde diethyl acetal (3054-95-3) + 1-Bromo-2-iodobenzene (583-55-1) → 3-(2-bromophey)propionic acid ethyl ester (135613-33-1)

Guidance literature:

With tributyl-amine; tetrabutyl-ammonium chloride; palladium diacetate; In N,N-dimethyl-formamide; at 90 ℃; for 5h;

DOI:10.1055/s-2003-39900

Reference yield:

2-bromocinnamic acid (7345-79-1) → 3-(2-bromophey)propionic acid ethyl ester (135613-33-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 94 percent / H₂, Rh(PPh₃)3Cl / ethanol / 45 h / 25 °C / 2585.7 Torr

2: 95 percent / p-toluenesulfonic acid / 22 h / Heating

With Wilkinson's catalyst; hydrogen; toluene-4-sulfonic acid; In ethanol;

DOI:10.1021/jo952194k

upstream raw materials:

ethanol

3-(2-bromophenyl)propionic acid

acrylaldehyde diethyl acetal

1-Bromo-2-iodobenzene

Downstream raw materials:

3-(2-bromo-phenyl)-propan-1-ol

C₁₇H₂₅BO₄

C₂₇H₂₄F₃NO₄

3-(2-bromophenyl)propanal O-methyloxime