2-(3-Bromophenyl)propanal

Base Information

• Chemical Name: 2-(3-Bromophenyl)propanal
• CAS No.: 59452-90-3
• Molecular Formula: C₉H₉BrO
• Molecular Weight: 213.074
• Hs Code.: 2913000090
• European Community (EC) Number: 832-961-4
• Nikkaji Number: J2.844.139H
• Mol file: 59452-90-3.mol

Synonyms:2-(3-bromophenyl)propanal;59452-90-3;SCHEMBL4437155;2-(3-bromophenyl)-propionaldehyde;2-(3-Bromo-phenyl)-propionaldehyde;MFCD18908978;AKOS015155220;CS-0265220;EN300-97030;A1-42478;Z1269224544

Chemical Property of 2-(3-Bromophenyl)propanal

Chemical Property:

• Boiling Point: 266.7±15.0 °C(Predicted)
• Density: 1.392±0.06 g/cm3(Predicted)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 211.98368
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

2-(3-Bromophenyl)propanal 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C=O)C1=CC(=CC=C1)Br

Technology Process of 2-(3-Bromophenyl)propanal

There total 8 articles about 2-(3-Bromophenyl)propanal 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: 97.0%

2-(3-bromophenyl)-2-methyloxirane (73761-78-1) → 2-(3-bromophenyl)propanal (59452-90-3)

Guidance literature:

With C₃₆H₅₄IrNP⁽¹⁺⁾*C₃₂H₁₂BF₂₄^(1-); In tetrahydrofuran; at 23 - 100 ℃; for 24h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1039/c4cc05260a

Reference yield: 95.0%

carbon monoxide (201230-82-2) + 3-bromostyrene (2039-86-3,25584-47-8) → 3-(3-bromophenyl)propanal (210115-30-3) + 2-(3-bromophenyl)propanal (59452-90-3)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; hydrogen; sodium 4-dodecylbenzenesulfonate; Sodium; 2-[bis-(2-diphenylphosphanyl-ethyl)-carbamoyl]-benzenesulfonate; In water; toluene; at 60 ℃; under 30003 Torr;

DOI:10.1016/j.cclet.2021.07.068

Reference yield:

chloroacetic acid ethyl ester (105-39-5) + 1-(3-Bromophenyl)ethanone (2142-63-4) → 2-(3-bromophenyl)propanal (59452-90-3)

Guidance literature:

Multistep reaction; (i) Na, tBuOH, benzene, xylene, (ii) NaOEt, H₂O, (iii) aq. HCl;

DOI:10.1016/0040-4020(76)80066-X

upstream raw materials:

ethyl 3'-bromo-3-methyl-2,3-epoxybenzenepropanoic acid ester

2-(3-bromophenyl)-2-methyloxirane

chloroacetic acid ethyl ester

1-(3-Bromophenyl)ethanone

Downstream raw materials:

1-[(E)-2-(3-Bromo-phenyl)-propenyl]-2-(2-cyclohexyl-ethyl)-piperidine

2-cyclohexylmethyl-1-[2-(3-bromophenyl)propyl]-piperidine

(R)-2-(3-bromophenyl)-2-methyl-4,4-bis(phenylsulfonyl)butanal