Hept-3-YN-2-OL

Base Information

Chemical Name:Hept-3-YN-2-OL
CAS No.:56699-62-8
Molecular Formula:C7H12O
Molecular Weight:112.172
Hs Code.:
DSSTox Substance ID:DTXSID90513417
Nikkaji Number:J126.484B
Mol file:56699-62-8.mol

Synonyms:HEPT-3-YN-2-OL;56699-62-8;SCHEMBL4520290;DTXSID90513417;AKOS024288425

Suppliers and Price of Hept-3-YN-2-OL

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 3 raw suppliers

Chemical Property of Hept-3-YN-2-OL

Chemical Property:

Melting Point:-20.62°C (estimate)
Refractive Index:1.4314 (estimate)
Boiling Point:180.13°C (rough estimate)
PKA:13.07±0.20(Predicted)
PSA：20.23000
Density:0.8469 (estimate)
LogP:1.17070
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:112.088815002
Heavy Atom Count:8
Complexity:104

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCC#CC(C)O

Technology Process of Hept-3-YN-2-OL

There total 6 articles about Hept-3-YN-2-OL 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: 95.0%

: 26059-43-8
hept-3-yn-2-one

: 56699-62-8
(+/-)-3-heptyn-2-ol

Guidance literature:: With 9-borabicyclo[3.3.1]nonane dimer;
DOI:10.1016/S0040-4039(98)80013-0

Reference yield: 90.0%

: 627-19-0
1-Pentyne

: 75-07-0,9002-91-9
acetaldehyde

: 56699-62-8
(+/-)-3-heptyn-2-ol

Guidance literature:: 1-Pentyne; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h; Inert atmosphere;

acetaldehyde; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acs.orglett.6b02432