4,4-Dimethyl-2-pentyn-1-ol

Base Information

Chemical Name:4,4-Dimethyl-2-pentyn-1-ol
CAS No.:52323-98-5
Molecular Formula:C7H12O
Molecular Weight:112.172
Hs Code.:
European Community (EC) Number:822-399-8
DSSTox Substance ID:DTXSID80472706
Nikkaji Number:J1.899.959E
Wikidata:Q82301784
Mol file:52323-98-5.mol

Synonyms:4,4-dimethylpent-2-yn-1-ol;4,4-dimethyl-2-pentyn-1-ol;52323-98-5;1-Hydroxy-4,4-dimethyl-2-pentyne;SCHEMBL179519;4,4-dimethyl-pent-2-yn-1-ol;DTXSID80472706;NLLANJRMYBRPDY-UHFFFAOYSA-N;MFCD27924835;AKOS026742970;EN300-155091;F75352

Suppliers and Price of 4,4-Dimethyl-2-pentyn-1-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

TRC
4,4-dimethylpent-2-yn-1-ol
50mg
$ 285.00

AK Scientific
4,4-Dimethyl-2-pentyn-1-ol
1g
$ 1382.00

Total 10 raw suppliers

Chemical Property of 4,4-Dimethyl-2-pentyn-1-ol

Chemical Property:

Boiling Point:162.4-163.4 °C(Press: 767.6 Torr)
PKA:12.96±0.10(Predicted)
PSA：20.23000
Density:0.8565 g/cm3(Temp: 22 °C)
LogP:1.02820
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:116

Purity/Quality:

99% ^*data from raw suppliers

4,4-dimethylpent-2-yn-1-ol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C#CCO

Technology Process of 4,4-Dimethyl-2-pentyn-1-ol

There total 10 articles about 4,4-Dimethyl-2-pentyn-1-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: 100.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 917-92-0
3,3-Dimethylbut-1-yne

: 52323-98-5
4,4-dimethylpent-2-yn-1-ol

Guidance literature:: 3,3-Dimethylbut-1-yne; With n-butyllithium; In tetrahydrofuran; at 0 - 20 ℃;

formaldehyd; In tetrahydrofuran; at 20 - 65 ℃; for 17h;

With water; In ethyl acetate;

Reference yield: 66.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 62276-26-0
B-1-(3,3-dimethylbutynyl)-9-borabicyclo<3.3.1>nonane

: 52323-98-5
4,4-dimethylpent-2-yn-1-ol

Guidance literature:: With ethanolamine; In pentane; at 25 ℃; for 0.0833333h;
DOI:10.1021/jo00210a003

Reference yield:

: 19070-80-5
n-<(trimethylsiloxy)methyl>phthalimide

: 14630-42-3
(3,3-dimethyl-1-butynyl)trimethylsilane

: 52323-98-5
4,4-dimethylpent-2-yn-1-ol

Guidance literature:: n-<(trimethylsiloxy)methyl>phthalimide; (3,3-dimethyl-1-butynyl)trimethylsilane; With sodium phenoxide; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

With potassium carbonate; In methanol; N,N-dimethyl-formamide; at 20 ℃; for 0.5h; Inert atmosphere;
DOI:10.1002/ejoc.201701440