3-Ethoxy-3-methyl-1-butyne

Base Information

• Chemical Name: 3-Ethoxy-3-methyl-1-butyne
• CAS No.: 7740-69-4
• Molecular Formula: C7H12O
• Molecular Weight: 112.172
• DSSTox Substance ID: DTXSID70228113
• Nikkaji Number: J110.430F
• Wikidata: Q83108040
• Mol file: 7740-69-4.mol

Synonyms:3-ETHOXY-3-METHYL-1-BUTYNE;7740-69-4;1-Butyne, 3-ethoxy-3-methyl-;Ether, 1,1-dimethyl-2-propynyl ethyl;3-ethoxy-3-methylbut-1-yne;2-ethoxy-2-methylbut-3-yne;DTXSID70228113;POVUIQJVPNHKOS-UHFFFAOYSA-N;1,1-Dimethyl-2-propynyl ethyl ether #;EN300-27736518

Chemical Property of 3-Ethoxy-3-methyl-1-butyne

Chemical Property:

• Vapor Pressure: 13.8mmHg at 25°C
• Boiling Point: 127°C at 760 mmHg
• Flash Point: 20.3°C
• PSA: 9.23000
• Density: 0.835g/cm³
• LogP: 1.43470
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 112.088815002
• Heavy Atom Count: 8
• Complexity: 105

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C)(C)C#C

Technology Process of 3-Ethoxy-3-methyl-1-butyne

There total 3 articles about 3-Ethoxy-3-methyl-1-butyne 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:

3-chloro-3-methylbut-1-yne (1111-97-3) + ethanol (64-17-5) → 3-ethoxy-3-methyl-but-1-yne (7740-69-4) + 2-methylbut-1-en-3-yne (78-80-8)

Guidance literature:

With potassium hydroxide;

Reference yield:

3-chloro-3-methylbut-1-yne (1111-97-3) + ethanol (64-17-5) + sodium ethanolate (141-52-6) → 3-ethoxy-3-methyl-but-1-yne (7740-69-4) + 2-methylbut-1-en-3-yne (78-80-8)

Guidance literature:

Reference yield:

3-bromo-3-methylbut-1-yne (6214-31-9) → 3-ethoxy-3-methyl-but-1-yne (7740-69-4) + 2-methyl-but-3-yn-2-ol (115-19-5) + 3-azido-3-methyl-1-butyne (118723-88-9) + 4-(1-methoxy-1-methylethyl)-1H-1,2,3-triazole (118723-94-7) + 4-(1-ethoxy-1-methylethyl)-1H-1,2,3-triazole (118723-91-4) + 4-(1-azido-1-methylethyl)-1H-1,2,3-triazole (118723-90-3)

Guidance literature:

With sodium azide; In ethanol-d6; water-d2; at 20 - 30 ℃; Product distribution; further solvents, times, temp.;

upstream raw materials:

3-chloro-3-methylbut-1-yne

ethanol

sodium ethanolate

3-bromo-3-methylbut-1-yne

Downstream raw materials:

3-methyl-3-ethoxy-2-butanone

3.6-Dimethyl-2.6-diethoxy-2-phenyl-heptin-⁽⁴⁾-ol-⁽³⁾

1-(3-Ethoxy-3-methyl-but-1-ynyl)-cyclohexanol

4-ethoxy-2-(1'-ethoxy-1'-methylethyl)-5,7-diphenylcyclopenta[b]pyran

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