3-bromotetrahydro-2H-pyran

Base Information

• Chemical Name: 3-bromotetrahydro-2H-pyran
• CAS No.: 13047-01-3
• Molecular Formula: C5H9BrO
• Molecular Weight: 165.03
• Hs Code.: 2932999099
• European Community (EC) Number: 861-643-8
• DSSTox Substance ID: DTXSID00482448
• Nikkaji Number: J3.076.841H
• Mol file: 13047-01-3.mol

Synonyms:13047-01-3;3-bromotetrahydro-2H-pyran;3-Bromo-tetrahydropyran;3-bromooxane;3-BROMO-TETRAHYDRO-PYRAN;3-bromotetrahydropyran;2H-PYRAN, 3-BROMOTETRAHYDRO-;MFCD07371502;3-bromotetrahydro-pyran;SCHEMBL2356897;DTXSID00482448;FQBAAVZEEPNKMR-UHFFFAOYSA-N;AKOS005068314;CS-W019418;MB04535;AS-30803;SY005937;AM20080215;BB 0253941;FT-0750528;EN300-118243;A806088

Chemical Property of 3-bromotetrahydro-2H-pyran

Chemical Property:

• Vapor Pressure: 1.37mmHg at 25°C
• Refractive Index: 1.491
• Boiling Point: 178 °C at 760 mmHg
• Flash Point: 69.2 °C
• PSA: 9.23000
• Density: 1.475 g/cm³
• LogP: 1.56030
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 163.98368
• Heavy Atom Count: 7
• Complexity: 56

Purity/Quality:

97% ^*data from raw suppliers

3-Bromotetrahydro-2H-pyran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(COC1)Br

Technology Process of 3-bromotetrahydro-2H-pyran

There total 5 articles about 3-bromotetrahydro-2H-pyran 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: 5.0%

n-Pent-4-enyl alcohol (821-09-0) → tetrahydrofurfuryl bromide (1192-30-9) + 3-bromotetrahydro-2H-pyran (13047-01-3) + 5-hydroxy-1,2-epoxypentane (21915-56-0)

Guidance literature:

With [VO(O)2(PAH)(Phen)]; dihydrogen peroxide; nitric acid; potassium bromide; In N,N-dimethyl-formamide; acetonitrile; at 20 ℃; for 5h;

DOI:10.1039/c2dt12505f

Reference yield:

Oxan-3-ol (19752-84-2) → 3-bromotetrahydro-2H-pyran (13047-01-3)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; at 0 - 20 ℃; for 4h;

Reference yield:

2,3-dibromotetrahydropyran (56660-59-4) → 3-bromotetrahydro-2H-pyran (13047-01-3)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; Yield given;

upstream raw materials:

2,3-dibromotetrahydropyran

3,4-dihydro-2H-pyran

Oxan-3-ol

n-Pent-4-enyl alcohol

Downstream raw materials:

3-(4-methoxyphenyl)tetrahydro-2H-pyran