3-Methylhept-1-yn-3-ol

Base Information

Chemical Name:3-Methylhept-1-yn-3-ol
CAS No.:17356-17-1
Molecular Formula:C₈H₁₄O
Molecular Weight:126.199
Hs Code.:
DSSTox Substance ID:DTXSID50398181
Nikkaji Number:J450.587E
Mol file:17356-17-1.mol

Synonyms:3-methylhept-1-yn-3-ol;3-Methyl-1-heptyn-3-ol;17356-17-1;1-Heptyn-3-ol, 3-methyl-;SCHEMBL978716;DTXSID50398181;BBL028010;MFCD00046606;STK774053;3-methyl-1-heptyn-3-ol, AldrichCPR;AKOS005617511;VS-08643;CS-0316421;FT-0726813

Suppliers and Price of 3-Methylhept-1-yn-3-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

American Custom Chemicals Corporation
3-METHYL-1-HEPTYN-3-OL 98.00%
5MG
$ 502.38

Total 4 raw suppliers

Chemical Property of 3-Methylhept-1-yn-3-ol

Chemical Property:

PSA：20.23000
LogP:1.56080
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:126.104465066
Heavy Atom Count:9
Complexity:120

Purity/Quality:

99% ^*data from raw suppliers

3-METHYL-1-HEPTYN-3-OL 98.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC(C)(C#C)O

Technology Process of 3-Methylhept-1-yn-3-ol

There total 7 articles about 3-Methylhept-1-yn-3-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: 70.0%

: 591-78-6
n-hexan-2-one

: 4301-14-8
acetylenemagnesium bromide

: 17356-17-1,104684-00-6
2-ethynyl-2-hexanol

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃; for 0.5h; Inert atmosphere;
DOI:10.1002/anie.202006550

Reference yield: 37.0%

: 591-78-6
n-hexan-2-one

: 75-20-7
calcium carbide

: 17356-17-1,104684-00-6
2-ethynyl-2-hexanol

Guidance literature:: With caesium carbonate; In water; dimethyl sulfoxide; at 60 ℃; for 8h; Inert atmosphere; Green chemistry;
DOI:10.1039/c3gc41269e

Reference yield:

: 591-78-6
n-hexan-2-one

: 74-86-2,25067-58-7
acetylene

: 17356-17-1,104684-00-6
2-ethynyl-2-hexanol

Guidance literature:: With n-butyllithium; Yield given. Multistep reaction; 1.) THF, hexane, 0 deg C, 20 min, 2.) THF, hexane, 0 deg C to room temperature;
DOI:10.1021/jo980331i