4-Methylphenyl 2-bromopropanoate

Base Information

• Chemical Name: 4-Methylphenyl 2-bromopropanoate
• CAS No.: 68293-33-4
• Molecular Formula: C₁₀H₁₁BrO₂
• Molecular Weight: 243.1
• DSSTox Substance ID: DTXSID201302825
• Mol file: 68293-33-4.mol

Synonyms:4-Methylphenyl 2-bromopropanoate;68293-33-4;DTXSID201302825

Chemical Property of 4-Methylphenyl 2-bromopropanoate

Chemical Property:

• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC(=O)C(C)Br

Technology Process of 4-Methylphenyl 2-bromopropanoate

There total 3 articles about 4-Methylphenyl 2-bromopropanoate 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: 94.0%

p-cresol (106-44-5) + α-bromopropionyl bromide (563-76-8) → 4-methylphenyl 2-bromopropanoate (68293-33-4)

Guidance literature:

With pyridine; In acetonitrile; at 0 ℃; for 0.5h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201705463

Reference yield:

p-cresol (106-44-5) + 2-Bromopropionyl chloride (7148-74-5) → 4-methylphenyl 2-bromopropanoate (68293-33-4)

Guidance literature:

With pyridine; In toluene; at -10 ℃;

DOI:10.1021/acs.joc.6b00543

Reference yield:

→ 4-methylphenyl 2-bromopropanoate (68293-33-4)

Guidance literature:

p-Cresol, α-Brompropionylbromid;

upstream raw materials:

p-cresol

α-bromopropionyl bromide

2-Bromopropionyl chloride