Acetic acid 3-bromo-1-propenyl ester

Base Information

• Chemical Name: Acetic acid 3-bromo-1-propenyl ester
• CAS No.: 4957-34-0
• Molecular Formula: C5H7BrO2
• Molecular Weight: 179.01200
• European Community (EC) Number: 857-958-5
• Nikkaji Number: J1.632.612G,J1.680.791E
• Mol file: 4957-34-0.mol

Synonyms:Acetic acid 3-bromo-1-propenyl ester;[(E)-3-bromoprop-1-enyl] Acetate;4957-34-0;3-bromoprop-1-en-1-yl acetate;Acetic acid (E)-3-bromo-1-propenyl ester;EN300-7596086

Chemical Property of Acetic acid 3-bromo-1-propenyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 1.45810
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 177.96294
• Heavy Atom Count: 8
• Complexity: 98.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC=CCBr
• Isomeric SMILES: CC(=O)O/C=C/CBr

Technology Process of Acetic acid 3-bromo-1-propenyl ester

There total 3 articles about Acetic acid 3-bromo-1-propenyl 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: 70.0%

Acetyl bromide (506-96-7) + acrolein (107-02-8,25068-14-8) → acetic acid 3-bromo-1-propenyl ester (4957-34-0)

Guidance literature:

In dichloromethane; at 20 ℃; for 72h;

DOI:10.1021/jo0262457

Reference yield:

Acetyl bromide (506-96-7) + acrolein (107-02-8,25068-14-8) → (E)-1-acetoxy-3-bromo-1-propene (4957-34-0) + (Z)-1-acetoxy-3-bromo-1-propene (368421-69-6)

Guidance literature:

With zinc(II) chloride; In dichloromethane; at 0 ℃; for 2h; Title compound not separated from byproducts;

DOI:10.1021/ol016315g DOI:10.1039/b106759a

Reference yield:

→ (E)-1-acetoxy-3-bromo-1-propene (4957-34-0)

Guidance literature:

With hydrogen bromide;

upstream raw materials:

Acetyl bromide

acrolein

Downstream raw materials:

5-[5-(tert-butyldimethylsiloxy)-2-(4-methylbenzenesulfonylamino)phenyl]-5-hydroxypent-2-enoic acid methyl ester

1-(2-furyl)but-3-ene-1,2-diol

1-(4-methylphenyl)but-3-ene-1,2-diol

1-phenylbut-3-ene-1,2-diol

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