2-Octynoic acid, 2-propen-1-yl ester

Base Information

Chemical Name:2-Octynoic acid, 2-propen-1-yl ester
CAS No.:73157-43-4
Molecular Formula:C11H16 O2
Molecular Weight:180.247
Hs Code.:
European Community (EC) Number:277-303-1
DSSTox Substance ID:DTXSID30868231
Nikkaji Number:J309.246A
Wikidata:Q82854984
Mol file:73157-43-4.mol

Synonyms:2-Octynoic acid, 2-propen-1-yl ester;Allyl oct-2-ynoate;73157-43-4;prop-2-enyl oct-2-ynoate;2-Octynoic acid, 2-propenyl ester;EINECS 277-303-1;allyl oct - 2 - ynoate;2-Octyneoic acid allyl ester;SCHEMBL3505865;DTXSID30868231

Suppliers and Price of 2-Octynoic acid, 2-propen-1-yl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 11 raw suppliers

Chemical Property of 2-Octynoic acid, 2-propen-1-yl ester

Chemical Property:

Vapor Pressure:0.0129mmHg at 25°C
Boiling Point:259.6°C at 760 mmHg
Flash Point:107.3°C
PSA：26.30000
Density:0.938g/cm³
LogP:2.29930
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:180.115029749
Heavy Atom Count:13
Complexity:217

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC#CC(=O)OCC=C

Technology Process of 2-Octynoic acid, 2-propen-1-yl ester

There total 3 articles about 2-Octynoic acid, 2-propen-1-yl 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: 84.0%

: 70653-29-1
2-[4-(2-tetrahydropyranyloxy)phenyl] malonic acid 4'-methoxybenzyl mono-ester

Guidance literature:

Reference yield: 80.0%

: 5663-96-7
oct-2-ynoic acid

: 107-18-6
allyl alcohol

: 73157-43-4
allyl oct-2-ynoate

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 16h;
DOI:10.1002/cbic.201900764

Reference yield:

: 628-71-7
1-Heptyne

: 73157-43-4
allyl oct-2-ynoate

Guidance literature:: Multi-step reaction with 2 steps

1: n-butyllithium / tetrahydrofuran / 1 h / -78 - 0 °C

2: dicyclohexyl-carbodiimide; dmap / dichloromethane / 16 h / 20 °C

With dmap; n-butyllithium; dicyclohexyl-carbodiimide; In tetrahydrofuran; dichloromethane;
DOI:10.1002/cbic.201900764