Oct-2-ynal

Base Information

Chemical Name:Oct-2-ynal
CAS No.:1846-68-0
Molecular Formula:C8H12 O
Molecular Weight:124.183
Hs Code.:2912190090
European Community (EC) Number:217-427-5
DSSTox Substance ID:DTXSID10171593
Nikkaji Number:J199.660F
Wikidata:Q64355106
ChEMBL ID:CHEMBL4064400
Mol file:1846-68-0.mol

Synonyms:Oct-2-ynal;2-Octynal;1846-68-0;2-OCTYNAL 97;EINECS 217-427-5;Amylpropiolaldehyd;2-Octynal, 97%;SCHEMBL477611;CHEMBL4064400;DTXSID10171593;STR05446;AKOS024386546;J-011832

Suppliers and Price of Oct-2-ynal

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

Sigma-Aldrich
2-Octynal 97%
5g
$ 115.00

American Custom Chemicals Corporation
2-OCTYNAL 95.00%
25G
$ 1347.37

American Custom Chemicals Corporation
2-OCTYNAL 95.00%
5G
$ 862.87

Total 10 raw suppliers

Chemical Property of Oct-2-ynal

Chemical Property:

Vapor Pressure:0.765mmHg at 25°C
Melting Point:8.5°C (estimate)
Refractive Index:n20/D 1.454(lit.)
Boiling Point:183.6°Cat760mmHg
Flash Point:68.3°C
PSA：17.07000
Density:0.879g/cm³
LogP:1.76900
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:124.088815002
Heavy Atom Count:9
Complexity:124

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Octynal 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi,N
Statements: 43-50
Safety Statements: 36/37-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC#CC=O
Uses 2-Octynal was used in the synthesis of (R)- and (S)-argentilactone via enantioselective catalytic allylation (ECA) and ring-closing metathesis pathways.

Technology Process of Oct-2-ynal

There total 13 articles about Oct-2-ynal 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: 97.0%

: 628-71-7
1-Heptyne

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 1846-68-0
oct-2-ynal

Guidance literature:: 1-Heptyne; With n-butyllithium; In tetrahydrofuran; hexane; at -40 ℃; for 0.25h;

N,N-dimethyl-formamide; In tetrahydrofuran; hexane; at -40 - 20 ℃; for 1h;

With sodium dihydrogenphosphate; In tetrahydrofuran; hexane; tert-butyl methyl ether; water;
DOI:10.1021/ol3022287 DOI:10.1021/ol3022287