4-Methyl-1-heptyn-3-OL

Base Information

Chemical Name:4-Methyl-1-heptyn-3-OL
CAS No.:87777-46-6
Molecular Formula:C₈H₁₄O
Molecular Weight:126.199
Hs Code.:
European Community (EC) Number:623-047-4
DSSTox Substance ID:DTXSID10607206
Nikkaji Number:J3.508.016C
Mol file:87777-46-6.mol

Synonyms:4-METHYL-1-HEPTYN-3-OL;87777-46-6;4-Methylhept-1-yn-3-ol;1-Heptyn-3-ol,4-methyl-;4-methyl-hept-1-yn-3-ol;SCHEMBL1057396;DTXSID10607206;4-Methyl-1-heptyn-3-ol, 97%;MFCD00041639;AKOS009159335;AS-58051;CS-0366600

Suppliers and Price of 4-Methyl-1-heptyn-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

Sigma-Aldrich
4-Methyl-1-heptyn-3-ol 97%
1g
$ 51.10

American Custom Chemicals Corporation
4-METHYL-1-HEPTYN-3-OL 95.00%
1G
$ 655.01

Alfa Aesar
4-Methyl-1-heptyn-3-ol, 97%
5g
$ 97.10

Alfa Aesar
4-Methyl-1-heptyn-3-ol, 97%
1g
$ 26.90

Alfa Aesar
4-Methyl-1-heptyn-3-ol, 97%
25g
$ 348.00

AK Scientific
4-Methyl-1-heptyn-3-ol
1g
$ 114.00

Total 6 raw suppliers

Chemical Property of 4-Methyl-1-heptyn-3-OL

Chemical Property:

Vapor Pressure:0.521mmHg at 25°C
Refractive Index:1.45
Boiling Point:168.7°C at 760 mmHg
Flash Point:58.7°C
PSA：20.23000
Density:0.865 g/mL at 25 °C
LogP:1.41670
Storage Temp.:2-8°C
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:126.104465066
Heavy Atom Count:9
Complexity:109

Purity/Quality:

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

4-Methyl-1-heptyn-3-ol 97% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 4-Methyl-1-heptyn-3-OL

There total 1 articles about 4-Methyl-1-heptyn-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: 58.0%

: 123-15-9
2-methylvaleraldehyde

: 75-20-7
calcium carbide

: 87777-46-6
4-methylhept-1-yn-3-ol

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

Reference yield: 50.0%

: 87777-46-6
4-methylhept-1-yn-3-ol

: 1,1-difluoro-1-chloro-2-benzyloxy ethane

: 124-40-3
dimethyl amine

: (2E,4Z)-2-(benzyloxy)-N,N,6-trimethylnona-2,4-dienamide

Guidance literature:: 4-methylhept-1-yn-3-ol; With sodium hydride; In N,N-dimethyl-formamide; at 0 ℃; for 0.166667h;

1,1-difluoro-1-chloro-2-benzyloxy ethane; dimethyl amine; In tetrahydrofuran; N,N-dimethyl-formamide; at 0 - 25 ℃; for 8h; stereoselective reaction;
DOI:10.1039/c9cc07100h