Prop-2-en-1-yl but-3-enoate

Base Information

• Chemical Name: Prop-2-en-1-yl but-3-enoate
• CAS No.: 1745-31-9
• Molecular Formula: C7H10 O2
• Molecular Weight: 126.155
• European Community (EC) Number: 630-663-7
• NSC Number: 97507
• DSSTox Substance ID: DTXSID90294633
• Nikkaji Number: J1.308.203K
• Wikidata: Q82034018
• Mol file: 1745-31-9.mol

Synonyms:1745-31-9;prop-2-en-1-yl but-3-enoate;allyl vinylacetate;allyl 3-butenoate;NSC97507;vinyl acetic acid allyl ester;SCHEMBL948033;DTXSID90294633;AAKKKMOPCAFJCX-UHFFFAOYSA-N;NSC-97507;AKOS024429120

Chemical Property of Prop-2-en-1-yl but-3-enoate

Chemical Property:

• Vapor Pressure: 3.94mmHg at 25°C
• Boiling Point: 149.9°C at 760 mmHg
• Flash Point: 61.9°C
• Density: 0.915g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 116

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(=O)OCC=C

Technology Process of Prop-2-en-1-yl but-3-enoate

There total 8 articles about Prop-2-en-1-yl but-3-enoate 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: 98.0%

but-3-enoic acid (625-38-7) + allyl alcohol (107-18-6) → allyl vinylacetate (1745-31-9)

Guidance literature:

With toluene-4-sulfonic acid; In chloroform; for 8h; Heating;

DOI:10.1021/ol026710m

Reference yield: 88.0%

carbon monoxide (201230-82-2) + allyl alcohol (107-18-6) → allyl vinylacetate (1745-31-9)

Guidance literature:

With bis(triphenylphosphine)platinum(II) dichloride; tin(ll) chloride; In benzene; at 80 ℃; under 152000 Torr; Product distribution; Mechanism; var. Pt(II) complexes; other allyl alcohols, also allyl chloride and vinyl halides in the presence of methanol;

DOI:10.1016/S0022-328X(00)82815-6

Reference yield: 67.0%

diallylcarbonate (15022-08-9) + carbon monoxide (201230-82-2) → allyl vinylacetate (1745-31-9)

Guidance literature:

With palladium diacetate; triphenylphosphine; at 50 ℃; for 5h; under 7600 Torr;

DOI:10.1016/S0040-4039(00)85793-7

upstream raw materials:

but-3-enoyl chloride

allyl alcohol

diallylcarbonate

carbon monoxide

Downstream raw materials:

1-(pent-4-en-1-yn-1-yl)cyclohexan-1-ol

1-phenyl-4-penten-1-yne

2-methylhept-6-en-3-yn-2-ol

rac-2-benzyl-3-butenoic acid allyl ester