BUT-3-ENOYL CHLORIDE

Base Information

• Chemical Name: BUT-3-ENOYL CHLORIDE
• CAS No.: 1470-91-3
• Molecular Formula: C4H5 Cl O
• Molecular Weight: 104.536
• Hs Code.: 2916190090
• European Community (EC) Number: 816-440-9
• DSSTox Substance ID: DTXSID10450310
• Nikkaji Number: J1.032.525K
• Wikidata: Q82269962
• Mol file: 1470-91-3.mol

Synonyms:3-Butenoicchloride; Vinyl acetic acid chloride; Vinylacetyl chloride

Chemical Property of BUT-3-ENOYL CHLORIDE

Chemical Property:

• Vapor Pressure: 38.106mmHg at 25°C
• Refractive Index: 1.427
• Boiling Point: 99.545°C at 760 mmHg
• Flash Point: 21.102°C
• PSA: 17.07000
• Density: 1.065g/cm³
• LogP: 1.32790
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 104.0028925
• Heavy Atom Count: 6
• Complexity: 67.9

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(=O)Cl

Technology Process of BUT-3-ENOYL CHLORIDE

There total 5 articles about BUT-3-ENOYL CHLORIDE 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: 67.0%

but-3-enoic acid (625-38-7) → but-3-enoyl chloride (1470-91-3)

Guidance literature:

With thionyl chloride; at 40 ℃; for 1h;

DOI:10.1021/jo00081a006

Reference yield:

carbon monoxide (201230-82-2) + 3-chloroprop-1-ene (107-05-1) → phosgene (75-44-5) + propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + 3-chlorobutanoyl chloride (1951-11-7) + isopropyl chloride (75-29-6) + but-3-enoyl chloride (1470-91-3) + 3,4-dichlorobutanoyl chloride

Guidance literature:

With hydrogenchloride; palladium dichloride; In dichloromethane; at 100 ℃; for 16h; Product distribution; chlorocarbonylation of unsaturated substrates; other allylic halides, other catalysts, other solvents, var. temp., time, pressure; also with phosgene;

DOI:10.1039/c39930001448

Reference yield:

3-allyloxy-3-chlorodiazirine (853580-86-6) → but-3-enoyl chloride (1470-91-3) + 3-chloroprop-1-ene (107-05-1)

Guidance literature:

In cyclohexane; at 25 ℃; Further Variations:; Solvents; photolysis; Product distribution;

DOI:10.1021/ol050668o

upstream raw materials:

but-3-enoic acid

carbon monoxide

3-chloroprop-1-ene

3-allyloxy-3-chlorodiazirine

Downstream raw materials:

methyl but-3-enoate

propyl 3-butenoate

ethyl 3-butenoate

pentyl but-3-enoate