2-(3-Bromophenoxy)tetrahydro-2H-pyran

Base Information

• Chemical Name: 2-(3-Bromophenoxy)tetrahydro-2H-pyran
• CAS No.: 57999-49-2
• Molecular Formula: C11H13BrO2
• Molecular Weight: 257.127
• Hs Code.: 2932999099
• European Community (EC) Number: 429-030-6
• DSSTox Substance ID: DTXSID70407986
• Mol file: 57999-49-2.mol

Synonyms:2-(3-Bromophenoxy)tetrahydro-2H-pyran;57999-49-2;2-(3-Bromophenoxy)-tetrahydro-2H-pyran;2-(3-bromophenoxy)oxane;2-(3'-Bromophenoxy)tetrahydro-2H-pyran;2-(3-bromophenoxy)tetrahydropyran;EC 429-030-6;3-(tetrahydropyran-2-yloxy)phenyl bromide;AMY945;SCHEMBL2205861;DTXSID70407986;YDIPSMGGPVMCHP-UHFFFAOYSA-N;2-(3-bromophenoxyl)tetrahydropyran;MFCD00094009;AKOS005254910;3-Bromo-1-(2-tetrahydropyranoxy)benzene;CP-328,914;CS-0109452;FT-0608535;2-(3-Bromophenoxy)tetrahydro-2H-pyran, 97%;E89399;A869545;J-505761

Chemical Property of 2-(3-Bromophenoxy)tetrahydro-2H-pyran

Chemical Property:

• Appearance/Colour: UN 3077
• Vapor Pressure: 0.000527mmHg at 25°C
• Melting Point: 42-46 °C(lit.)
• Refractive Index: 1.5504 (589.3 nm 20℃)
• Boiling Point: 322.4 °C at 760 mmHg
• Flash Point: 142.8 °C
• PSA: 18.46000
• Density: 1.403 g/cm³
• LogP: 3.35450
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 256.00989
• Heavy Atom Count: 14
• Complexity: 175

Purity/Quality:

98% ^*data from raw suppliers

2-(3-Bromophenoxy)tetrahydro-2H-pyran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N，Xn
• Hazard Codes: N,Xn
• Statements: 51-53-36/37/38-20/21/22-51/53
• Safety Statements: 61-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCOC(C1)OC2=CC(=CC=C2)Br

Technology Process of 2-(3-Bromophenoxy)tetrahydro-2H-pyran

There total 2 articles about 2-(3-Bromophenoxy)tetrahydro-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: 90.0%

3,4-dihydro-2H-pyran (110-87-2) + 3-Bromophenol (591-20-8) → 3-(tetrahydropyran-2-yloxy)phenyl bromide (57999-49-2)

Guidance literature:

With 4-(dimethylamino)pyridinium tosylate; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1002/jccs.201000020

Reference yield:

→ 3,3-ethylenedioxy-11β-[3-(2-tetrahydropyranyloxy)-phenyl]-17α-(prop-1-ynyl)-Δ9 -estrene-5α,17β-diol + 3-(tetrahydropyran-2-yloxy)phenyl bromide (57999-49-2)

Guidance literature:

Reference yield: 85.0%

3-(tetrahydropyran-2-yloxy)phenyl bromide (57999-49-2) + 3-Butyn-1-ol (927-74-2) → C15H18O3

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; at 90 ℃; for 18h;

upstream raw materials:

3,4-dihydro-2H-pyran

3-Bromophenol

Downstream raw materials:

4-m-hydroxyphenyl-1-methyl-4-propionyloxypiperidine

Dimethyl-{8-[3-(tetrahydro-pyran-2-yloxy)-phenyl]-1,4-dioxa-spiro[4.5]dec-8-yl}-amine

1-[4-(2-Dimethylamino-ethoxy)-phenyl]-2-phenyl-1-[3-(tetrahydro-pyran-2-yloxy)-phenyl]-butan-1-ol

Butyl-methyl-{8-[3-(tetrahydro-pyran-2-yloxy)-phenyl]-1,4-dioxa-spiro[4.5]dec-8-yl}-amine

Refernces

• 1、 Bobileva, Olga,Ikaunieks, Martins,Duburs, Gunars,Mandrika, Ilona,Petrovska, Ramona,Klovins, Janis,Loza, Einars. "Synthesis and evaluation of (E)-2-(5-phenylpent-2-en-4-ynamido)cyclohex-1-ene-1-carboxylate derivatives as HCA2 receptor agonists". . p. 4314 - 4329. Retrieved 2017/07/22.
• 2、 Magyar, ágnes,Nagy, Balázs,Hell, Zoltán. "Tetrahydropyranylation of alcohols in the presence of a slightly basic, heterogeneous titanium catalyst". . p. 1876 - 1879. Retrieved 2019/11/28.