3-Methoxy-3-methylbut-1-yne

Base Information

• Chemical Name: 3-Methoxy-3-methylbut-1-yne
• CAS No.: 13994-57-5
• Molecular Formula: C6H10O
• Molecular Weight: 98.1448
• Hs Code.: 2909199090
• European Community (EC) Number: 807-468-2
• DSSTox Substance ID: DTXSID60406761
• Nikkaji Number: J767.745F
• Wikidata: Q82211851
• Mol file: 13994-57-5.mol

Synonyms:3-methoxy-3-methylbut-1-yne;13994-57-5;1-Butyne, 3-methoxy-3-methyl-;3-Methoxy-3-methyl-but-1-yne;MFCD06654873;3-Methoxy-3-methyl-1-butyne;3-methoxy-3-methyl-l-butyne;2-methyl-2-methoxy-3-butyne;3-methyl-3-methoxy-1-butine;DTXSID60406761;ZYDXBIXQPLRRIK-UHFFFAOYSA-N;AKOS005259242;CS-0238518;EN300-196651;Z1198169184

Chemical Property of 3-Methoxy-3-methylbut-1-yne

Chemical Property:

• Melting Point: -51-2 °C
• Boiling Point: 81-82 °C
• PSA: 9.23000
• Density: 0.8140 g/cm3
• LogP: 1.04460
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 98.073164938
• Heavy Atom Count: 7
• Complexity: 94

Purity/Quality:

99% ^*data from raw suppliers

3-methoxy-3-methylbut-1-yne ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C#C)OC

Technology Process of 3-Methoxy-3-methylbut-1-yne

There total 4 articles about 3-Methoxy-3-methylbut-1-yne 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: 92.0%

2-methyl-but-3-yn-2-ol (115-19-5) + dimethyl sulfate (77-78-1) → 3-methoxy-3-methylbut-1-yne (13994-57-5)

Guidance literature:

2-methyl-but-3-yn-2-ol; With potassium hydroxide; In N,N-dimethyl-formamide; at 15 - 20 ℃; for 0.25h;

dimethyl sulfate; In N,N-dimethyl-formamide; at 15 - 20 ℃; for 3h; Temperature;

Reference yield:

2-methyl-but-3-yn-2-ol (115-19-5) + methyl iodide (74-88-4) → 3-methoxy-3-methylbut-1-yne (13994-57-5)

Guidance literature:

With potassium hydroxide; magnesium sulfate; In diethylene glycol dimethyl ether; pentane;

Reference yield:

methanol (67-56-1) + 3-chloro-3-methylbut-1-yne (1111-97-3) → 3-methoxy-3-methylbut-1-yne (13994-57-5)

Guidance literature:

With potassium hydroxide;

upstream raw materials:

methanol

3-chloro-3-methylbut-1-yne

2-methyl-but-3-yn-2-ol

dimethyl sulfate

Downstream raw materials:

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

4-methyl-4-methoxy-1-phenylpent-2-yne-1-one

3-methoxy-3-methyl-2,4-heptadiyn-1-ol

4-Methoxy-4-methyl-1,1-diphenyl-pentin-⁽²⁾-ol-⁽¹⁾