2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-

Base Information

• Chemical Name: 2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-
• CAS No.: 83872-57-5
• Molecular Formula: C16H24O4S
• Molecular Weight: 312.43
• DSSTox Substance ID: DTXSID10453189

Synonyms:83872-57-5;2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-;DTXSID10453189

Chemical Property of 2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 312.13953042
• Heavy Atom Count: 21
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(CCS(=O)(=O)C1=CC=CC=C1)OC2CCCCO2

Technology Process of 2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro-

There total 2 articles about 2H-Pyran, 2-[1,1-dimethyl-3-(phenylsulfonyl)propoxy]tetrahydro- 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: 76.0%

3,4-dihydro-2H-pyran (110-87-2) + 1-phenylsulphonyl-3-methyl-3-hydroxybutane (83872-56-4) → 2-Methyl-4-phenylsulfonyl-2-<(tetrahydropyran-2-yl)oxy>butan (83872-57-5)

Guidance literature:

With toluene-4-sulfonic acid; In benzene; for 0.5h; Ambient temperature;

DOI:10.1002/hlca.19820650524

Reference yield:

4-(phenylsulfonyl)butan-2-one (24731-39-3) → 2-Methyl-4-phenylsulfonyl-2-<(tetrahydropyran-2-yl)oxy>butan (83872-57-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 12.8 percent / tetrahydrofuran; diethyl ether / 1.) 5 deg C, 90 min; 2.) 3 deg C, 3 h

2: 76 percent / p-TsOH / benzene / 0.5 h / Ambient temperature

With toluene-4-sulfonic acid; In tetrahydrofuran; diethyl ether; benzene;

DOI:10.1002/hlca.19820650524

Reference yield: 64.8%

2-Methyl-4-phenylsulfonyl-2-<(tetrahydropyran-2-yl)oxy>butan (83872-57-5) + (20S)-20-Methyl-1α,3β-bis<(tetrahydropyran-2-yl)oxy>-5-pregnen-21-ol-p-toluolsulfonat (80164-10-9) → (23RS)-23-Phenylsulfonyl-1α,3β,25-tris<(tetrahydropyran-2-yl)oxy>-5-cholesten

Guidance literature:

With n-butyllithium; 1.) THF-hexane, -70 deg C; 2.) THF-hexane-HMPT, 0 deg C;

DOI:10.1002/hlca.19820650524

upstream raw materials:

3,4-dihydro-2H-pyran

1-phenylsulphonyl-3-methyl-3-hydroxybutane

4-(phenylsulfonyl)butan-2-one

Downstream raw materials:

(1S,6R)-1-hydroxy-6-(1,3-benzodithiol-2-yloxy)-23-phenylsulfonyl-25-tetrahydropyranyloxy-3,5-cyclovitamin D₃

calcitriol

25-hydroxychlolesterol

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