3-Bromopropyl acetate

Base Information

• Chemical Name: 3-Bromopropyl acetate
• CAS No.: 592-33-6
• Molecular Formula: C5H9BrO2
• Molecular Weight: 181.029
• Nikkaji Number: J284.476A
• Mol file: 592-33-6.mol

Synonyms:3-BROMOPROPYL ACETATE;MFCD02258489;acetic acid 3-bromopropyl ester;1-acetoxy-3-bromopropane;3-acetoxy-1-bromo-propane;bromopropyl acetate;3-acetoxypropyl bromide;SCHEMBL64711;Acetic acid 3-bromo-propyl ester;OQCDPFUVJUOTNX-UHFFFAOYSA-N;AKOS006276312;BS-45322;SY234422;B5650;CS-0130245;C75766

Chemical Property of 3-Bromopropyl acetate

Chemical Property:

• Refractive Index: 1.4560 to 1.4600
• Boiling Point: 163°C(lit.)
• PSA: 40.13000
• Density: 1.417±0.06 g/cm3(Predicted)
• LogP: 0.30150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 179.97859
• Heavy Atom Count: 8
• Complexity: 72.8

Purity/Quality:

97% ^*data from raw suppliers

3-Bromopropyl Acetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OCCCBr

Technology Process of 3-Bromopropyl acetate

There total 4 articles about 3-Bromopropyl acetate 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: 90.0%

2,2-diethyl-1,3-dioxane (6543-17-5) + Acetyl bromide (506-96-7) → 3-bromopropyl acetate (592-33-6) + pentan-3-one (96-22-0)

Guidance literature:

In benzene; at 40 ℃; for 72h;

DOI:10.1007/BF01120981

Reference yield:

tetrahydro-2-methyl-2-furyl hydroperoxide (23277-12-5) → 5-Hydroxy-2-pentanone (1071-73-4) + Allyl acetate (591-87-7) + 3-bromopropyl acetate (592-33-6)

Guidance literature:

With copper(II) nitrate; sodium bromide; In water; at 20 ℃; Product distribution; Mechanism; pH 3.00;

DOI:10.1007/BF00950635

Reference yield:

potassium acetate (127-08-2) + acetic acid (64-19-7,77671-22-8) + 1.3-chlorobromopropane (109-70-6) → 1,3-diacetoxypropane (628-66-0) + 3-Chloropropyl acetate (628-09-1) + 3-bromopropyl acetate (592-33-6) + 1-chloro-3-hydroxypropane (627-30-5)

Guidance literature:

DOI:10.1021/ja01630a015

upstream raw materials:

potassium acetate

acetic acid

1.3-chlorobromopropane

2-methyl-[1,3]dioxane

Downstream raw materials:

trimethylene oxide

3-(2-oxocyclohexyl)propyl acetate

3-(dimethylamino)-1-propyl acetate

Acetic acid 3-imidazol-1-yl-propyl ester