4-Methyltetrahydro-2H-pyran-4-OL

Base Information

• Chemical Name: 4-Methyltetrahydro-2H-pyran-4-OL
• CAS No.: 7525-64-6
• Molecular Formula: C6H12O2
• Molecular Weight: 116.16
• Hs Code.: 2932999099
• European Community (EC) Number: 925-044-6,830-872-5
• DSSTox Substance ID: DTXSID70492877
• Nikkaji Number: J354.561J
• Wikidata: Q63392592
• Mol file: 7525-64-6.mol

Synonyms:4-METHYLTETRAHYDRO-2H-PYRAN-4-OL;7525-64-6;4-methyloxan-4-ol;4-methyltetrahydropyran-4-ol;4-hydroxy-4-methyltetrahydropyran;MFCD13193576;2H-Pyran-4-ol, tetrahydro-4-methyl-;SCHEMBL562149;4-methyl-4-hydroxytetrahydropyran;DTXSID70492877;DCUYGCJQVJXUHU-UHFFFAOYSA-N;4-methyl-4-hydroxytetrahydro-pyran;AMY23045;AKOS012522986;CS-W006621;GS-4056;SB22755;SY110761;FT-0720942;EN300-301359;A865714;A1-09234;J-515830;Q63392592

Chemical Property of 4-Methyltetrahydro-2H-pyran-4-OL

Chemical Property:

• PSA: 29.46000
• LogP: 0.54780
• Storage Temp.: 2-8°C
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 116.083729621
• Heavy Atom Count: 8
• Complexity: 74.6

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methyltetrahydro-2H-pyran-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCOCC1)O

Technology Process of 4-Methyltetrahydro-2H-pyran-4-OL

There total 2 articles about 4-Methyltetrahydro-2H-pyran-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:

4,4-dimethyl-1,3-dioxane (766-15-4) → 4-methyl-3,6-dihydro-2H-pyran (16302-35-5) + 2-methyl-1-buten-4-ol (763-32-6) + 3-methyl-butane-1,3-diol (2568-33-4) + 4-hydroxy-4-methyltetrahydropyran (7525-64-6) + 2-methyl-3-buten-2-ol (115-18-4) + 3-methyl-2-buten-1-ol (556-82-1)

Guidance literature:

With sulfuric acid; at 120 ℃; for 3h; Product distribution; various catalyst, various temperature, various time, extent of conversion, solvent cyclohexane;

Reference yield:

4,4-dimethyl-1,3-dioxane (766-15-4) → 4-methyl-3,6-dihydro-2H-pyran (16302-35-5) + 4-hydroxy-4-methyltetrahydropyran (7525-64-6)

Guidance literature:

KU-2 cation-exchange resin; In cyclohexane; at 60 - 120 ℃; Product distribution; other catalysts (H₂SO₄, p-toluenesulfonic acid, BF₃*O(C₂H₅)2, SnCl₂, ZnCl₂), other solvent (toluene), influence of temp. and time;

Reference yield: 71.0%

4-hydroxy-4-methyltetrahydropyran (7525-64-6) → 4-bromo-4-methyltetrahydro-2H-pyrane (66299-88-5)

Guidance literature:

With hydrogen bromide; lithium bromide; In water; at 0 - 20 ℃;

DOI:10.1021/ja304068t

upstream raw materials:

4,4-dimethyl-1,3-dioxane

Downstream raw materials:

4-methyl-3,6-dihydro-2H-pyran

4-methylene-tetrahydro-pyran

4-methyltetrahydropyran

4-bromo-4-methyltetrahydro-2H-pyrane

Refernces

• 1、 Romanov, N. A.,Kantor, E. A.,Musavirov, R. S.,Karakhanov, R. A.,Rakhmankulov, D. L.. "Dehydration of 4,4-dimethyl- and 4-methyl-4-phenyl-1,3-dioxanes". . p. 1602 - 1605. Retrieved 2007/10/02.