3-Methyltetrahydropyran

Base Information

• Chemical Name: 3-Methyltetrahydropyran
• CAS No.: 26093-63-0
• Molecular Formula: C6H12O
• Molecular Weight: 100.161
• Hs Code.: 2932999099
• European Community (EC) Number: 247-455-3
• DSSTox Substance ID: DTXSID30948966
• Nikkaji Number: J130.627H
• Mol file: 26093-63-0.mol

Synonyms:3-Methyltetrahydropyran;3-methyloxane;26093-63-0;Tetrahydro-3-methyl-2H-pyran;2H-Pyran, tetrahydro-3-methyl-;EINECS 247-455-3;3-Methyloxan;3-Methyltetrahydro-2H-pyran;SCHEMBL37484;3-Methyltetrahydro-2H-pyran #;DTXSID30948966;AKOS006228085

Chemical Property of 3-Methyltetrahydropyran

Chemical Property:

• Appearance/Colour: COLORLESS LIQUID
• Vapor Pressure: 31.8mmHg at 25°C
• Refractive Index: n20/D 1.42(lit.)
• Boiling Point: 107.3 °C at 760 mmHg
• Flash Point: 11 °C
• PSA: 9.23000
• Density: 0.852 g/cm³
• LogP: 1.43290
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.088815002
• Heavy Atom Count: 7
• Complexity: 52.1

Purity/Quality:

98%Min ^*data from raw suppliers

3-METHYLTETRAHYDROPYRAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-19-36/37/38
• Safety Statements: 16-23-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCCOC1

Technology Process of 3-Methyltetrahydropyran

There total 7 articles about 3-Methyltetrahydropyran 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: 3.0%

2-methyl-1,5-pentanediol (42856-62-2) → 2,2-dimethyltetrahydrofuran (1003-17-4) + 3-methyltetrahydropyran (26093-63-0)

Guidance literature:

With Amberlyst 15; at 140 - 160 ℃;

DOI:10.1021/ja00377a015

Reference yield:

N-(4-methyl-4-penten-1-oxy)-4-(p-chlorophenyl)thiazole-2(3H)thione → 2,2-dimethyltetrahydrofuran (1003-17-4) + 3-methyltetrahydropyran (26093-63-0)

Guidance literature:

With tris-(trimethylsilyl)silane; In benzene-d6; at 20 ℃; for 0.416667h; Title compound not separated from byproducts; Photolysis;

DOI:10.1021/ja049010g

Reference yield:

4-methyl-4-pentenyl-1-tosylate (25163-50-2) → 3-methyltetrahydropyran (26093-63-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 67 percent / dimethylformamide / 20 °C

2: 25 percent Spectr_. / [(CH₃)3Si]3SiH / benzene-d6 / 0.42 h / 20 °C / Photolysis

With tris-(trimethylsilyl)silane; In benzene-d6; N,N-dimethyl-formamide;

DOI:10.1021/ja049010g

upstream raw materials:

3-methyl-5,6-dihydro-2H-pyran

2-methyl-1,5-pentanediol

N-<(2-Methyl-4-pentenyl)-1-oxy>pyridine-2(1H)-thione

4-methyl-4-pentenyl-1-tosylate

Downstream raw materials:

α-methyl-δ-valerolactone

5-methyltetrahydropyran-2-one

3-phenyl-4(3H)-quinazolinone

N-(4-methylphenyl)formamide

Refernces

• 1、 Hartung, Jens,Kneuer, Rainer,Rummey, Christian,Bringmann, Gerhard. "On the 6-endo selectivity in 4-penten-1-oxyl radical cyclizations". . p. 12121 - 12129. Retrieved 2007/10/03.