4-Ethynyltetrahydropyran-4-OL

Base Information

• Chemical Name: 4-Ethynyltetrahydropyran-4-OL
• CAS No.: 57385-16-7
• Molecular Formula: C7H10O2
• Molecular Weight: 126.155
• Hs Code.: 2932990090
• European Community (EC) Number: 855-701-1
• Mol file: 57385-16-7.mol

Synonyms:57385-16-7;4-ETHYNYLTETRAHYDROPYRAN-4-OL;4-ethynyltetrahydro-2H-pyran-4-ol;4-ETHYNYLOXAN-4-OL;2H-Pyran-4-ol, 4-ethynyltetrahydro- (9CI);MFCD18814953;SCHEMBL236665;4-ethynyl-tetrahydropyran-4-ol;4-ethynyl-tetrahydro-pyran-4-ol;SWJWVPMUAUALKX-UHFFFAOYSA-N;AKOS014246344;PB25698;AS-51351;SY042348;CS-0050868;EN300-220139;P12466;A869685;F8883-8285

Chemical Property of 4-Ethynyltetrahydropyran-4-OL

Chemical Property:

• Melting Point: 62-63 °C
• Boiling Point: 214.4±40.0 °C(Predicted)
• PKA: 12.65±0.20(Predicted)
• PSA: 29.46000
• Density: 1.09±0.1 g/cm3(Predicted)
• LogP: 0.16110
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

4-ethynyloxan-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1(CCOCC1)O

Technology Process of 4-Ethynyltetrahydropyran-4-OL

There total 10 articles about 4-Ethynyltetrahydropyran-4-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: 96.2%

Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) + ethynylmagnesium chloride → 4-ethynyltetrahydro-2H-pyran-4-ol (57385-16-7)

Guidance literature:

Tetrahydro-4H-pyran-4-one; ethynylmagnesium chloride; In tetrahydrofuran; diethyl ether; at 0 - 20 ℃; for 1.25h;

With water; ammonium chloride; In tetrahydrofuran; diethyl ether;

Reference yield: 95.2%

3,4,5,6-tetrahydro-2H-pyran-2-one (542-28-9,26354-94-9) + acetylenemagnesium bromide (4301-14-8) → 4-ethynyltetrahydro-2H-pyran-4-ol (57385-16-7)

Guidance literature:

In tetrahydrofuran; at 0 - 25 ℃; for 6h;

Reference yield: 94.0%

4-((trimethylsilyl)ethynyl)tetrahydro-2H-pyran-4-ol (1044277-44-2) → 4-ethynyltetrahydro-2H-pyran-4-ol (57385-16-7)

Guidance literature:

With potassium carbonate; In methanol; at 20 ℃; for 12h; Inert atmosphere;

DOI:10.1002/jhet.3454

upstream raw materials:

3,4,5,6-tetrahydro-2H-pyran-2-one

acetylenemagnesium bromide

Tetrahydro-4H-pyran-4-one

ethynylmagnesium chloride

Downstream raw materials:

2(R)-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-[5-(4-hydroxy-tetrahydropyran-4-yl-ethyl)-pyrazin-2-yl]-propionamide

3-cyclopentyl-N-5-[(4-hydroxy-tetrahydropyran-4-yl-ethynyl)pyrazin-2-yl]-2(R)-(4-methanesulfonyl-phenyl)-propionamide

3-cyclopentyl-N-[5-(4-hydroxy-tetrahydro-pyran-4-ylethynyl)-pyrazin-2-yl]-2(R)-(4-methanesulfonyl-3-methyl-phenyl)-propionamide

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