Diethyl 2-(1,1-dimethyl-2-propynyl)malonate

Base Information

Chemical Name:Diethyl 2-(1,1-dimethyl-2-propynyl)malonate
CAS No.:21079-27-6
Molecular Formula:C₁₂H₁₈O₄
Molecular Weight:226.273
Hs Code.:
NSC Number:194861
DSSTox Substance ID:DTXSID70307735
Wikidata:Q82055259
Mol file:21079-27-6.mol

Synonyms:21079-27-6;NSC194861;diethyl 2-(1,1-dimethyl-2-propynyl)malonate;SCHEMBL11331239;DTXSID70307735;GNCXYZOCHNPJEF-UHFFFAOYSA-N;NSC-194861;diethyl 2-(2-methyl-3-butyn-2-yl)malonate;diethyl (2-methylbut-3-yn-2-yl)propanedioate;ethyl 3,3-dimethyl-2-ethoxycarbonylpent-4-ynoate

Suppliers and Price of Diethyl 2-(1,1-dimethyl-2-propynyl)malonate

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 2 raw suppliers

Chemical Property of Diethyl 2-(1,1-dimethyl-2-propynyl)malonate

Chemical Property:

Vapor Pressure:0.00303mmHg at 25°C
Boiling Point:284.2°Cat760mmHg
Flash Point:131.1°C
Density:1.039g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:226.12050905
Heavy Atom Count:16
Complexity:290

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(C(=O)OCC)C(C)(C)C#C

Technology Process of Diethyl 2-(1,1-dimethyl-2-propynyl)malonate

There total 10 articles about Diethyl 2-(1,1-dimethyl-2-propynyl)malonate 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: 62.0%

: 1111-97-3
3-chloro-3-methylbut-1-yne

: 105-53-3
diethyl malonate

: 21079-27-6
diethyl 2-(1,1-dimethyl-2-propynyl)malonate

Guidance literature:: diethyl malonate; With sodium ethanolate; In ethanol; at 60 ℃; for 0.5h;

3-chloro-3-methylbut-1-yne; In ethanol; for 16.5h; Heating;
DOI:10.1002/chem.200400723

Reference yield: 42.0%

: 6214-31-9
3-bromo-3-methylbut-1-yne

: 105-53-3
diethyl malonate

: 21079-27-6
diethyl 2-(1,1-dimethyl-2-propynyl)malonate

Guidance literature:: diethyl malonate; With sodium ethanolate; at 60 ℃; for 1h; Inert atmosphere;

3-bromo-3-methylbut-1-yne; at 50 - 80 ℃; for 16.5h; Inert atmosphere;
DOI:10.1021/acs.orglett.6b01901

Reference yield:

: 115-19-5
2-methyl-but-3-yn-2-ol

: 21079-27-6
diethyl 2-(1,1-dimethyl-2-propynyl)malonate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 94 percent / CaCl₂; CuCl₂; copper bronze / aq. HCl / 1 h / 0 °C

2.1: EtONa / ethanol / 0.5 h / 60 °C

2.2: 62 percent / ethanol / 16.5 h / Heating

With sodium ethanolate; copper; calcium chloride; copper dichloride; hydrogenchloride; In ethanol;
DOI:10.1002/chem.200400723