3-Isopropyl-4-methyl-1-pentyn-3-ol

Base Information

Chemical Name:3-Isopropyl-4-methyl-1-pentyn-3-ol
CAS No.:5333-87-9
Molecular Formula:C9H16 O
Molecular Weight:140.225
Hs Code.:2905290000
NSC Number:71444,2355
DSSTox Substance ID:DTXSID20277439
Nikkaji Number:J2.191.643I
Wikidata:Q82008599
Mol file:5333-87-9.mol

Synonyms:3-Isopropyl-4-methyl-1-pentyn-3-ol;5333-87-9;4-methyl-3-propan-2-ylpent-1-yn-3-ol;3-isopropyl-4-methylpent-1-yn-3-ol;NSC2355;SCHEMBL234858;1,1-Diisopropylpropargyl alcohol;DTXSID20277439;NSC 2355;NSC-2355;NSC71444;MFCD00041603;NSC 71444;NSC-71444;FT-0615930;4-methyl-3-(1-methylethyl)-pent-1-yn-3-ol

Suppliers and Price of 3-Isopropyl-4-methyl-1-pentyn-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-ISOPROPYL-4-METHYL-1-PENTYN-3-OL 95.00%
5MG
$ 505.71

Total 6 raw suppliers

Chemical Property of 3-Isopropyl-4-methyl-1-pentyn-3-ol

Chemical Property:

Vapor Pressure:0.546mmHg at 25°C
Boiling Point:165°C 45mm
PKA:13.07±0.29(Predicted)
Flash Point:55.9°C
PSA：20.23000
Density:0,872 g/cm3
LogP:1.66270
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:140.120115130
Heavy Atom Count:10
Complexity:139

Purity/Quality:

99% ^*data from raw suppliers

3-ISOPROPYL-4-METHYL-1-PENTYN-3-OL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-Isopropyl-4-methyl-1-pentyn-3-ol

There total 8 articles about 3-Isopropyl-4-methyl-1-pentyn-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: 93.0%

: 565-80-0
2,4-dimethylpentan-3-one

: 70277-75-7
lithium acetylide

: 5333-87-9
3-isopropyl-4-methyl-pent-1-yn-3-ol

Guidance literature:: DOI:10.1016/S0040-4020(01)87773-5

Reference yield: 62.0%

: 565-80-0
2,4-dimethylpentan-3-one

: 4301-14-8
acetylenemagnesium bromide

: 5333-87-9
3-isopropyl-4-methyl-pent-1-yn-3-ol

Guidance literature:: In tetrahydrofuran; Heating;

Reference yield: 30.0%

: 75-20-7
calcium carbide

: 565-80-0
2,4-dimethylpentan-3-one

: 5333-87-9
3-isopropyl-4-methyl-pent-1-yn-3-ol

Guidance literature:: With tetrabutyl ammonium fluoride; water; In dimethyl sulfoxide; at 20 ℃; for 8h; Inert atmosphere;
DOI:10.1021/acs.orglett.5b01219