2-(4-Chlorobutoxy)tetrahydropyran

Base Information

• Chemical Name: 2-(4-Chlorobutoxy)tetrahydropyran
• CAS No.: 41302-05-0
• Deprecated CAS: 114862-04-3,122800-83-3
• Molecular Formula: C9H17ClO2
• Molecular Weight: 192.686
• Hs Code.: 2932999099
• European Community (EC) Number: 255-305-3
• NSC Number: 617378
• DSSTox Substance ID: DTXSID60884686
• Nikkaji Number: J150.729J
• ChEMBL ID: CHEMBL2002774
• Mol file: 41302-05-0.mol

Synonyms:2-(4-Chlorobutoxy)tetrahydropyran;41302-05-0;2-(4-chlorobutoxy)oxane;2-(4-Chlorobutoxy)tetrahydro-2H-pyran;2H-Pyran, 2-(4-chlorobutoxy)tetrahydro-;4-Chlorobutyl tetrahydropyranyl ether;EINECS 255-305-3;NSC617378;NSC 617378;2-((4-Chlorobutyl)oxy)tetrahydro-2H-pyran;4-Chlorobutyl tetrahydro-2H-pyran-2-yl ether;2-[(4-Chlorobutyl)oxy]tetrahydro-2H-pyran;SCHEMBL811117;CHEMBL2002774;DTXSID60884686;2-(4-chlorobutoxy) tetrahydropyran;MFCD00142812;1-chloro-4-tetrahydro-pyranyloxybutane;AKOS005067377;2-[(4-Chlorobutyl)oxy]tetrahydropyran;NSC-617378;2-(4-chlorobutoxy)-tetrahydro-2H-pyran;BS-44015;NCI60_005235;2-(4-chloro-butoxy)-tetrahydro-2H-pyran;4Chloro-1-butyl tetrahydro-2-pyranyl ether;4-Chloro-1-butyl tetrahydro-2-pyranyl ether;C1279;CS-0148485;FT-0733633;D89383;4-Chlorobutyl tetrahydro-2H-pyran-2-yl ether #

Chemical Property of 2-(4-Chlorobutoxy)tetrahydropyran

Chemical Property:

• Vapor Pressure: 0.0129mmHg at 25°C
• Refractive Index: n20/D 1.4605(lit.)
• Boiling Point: 268.2 °C at 760 mmHg
• Flash Point: 93.9 °C
• PSA: 18.46000
• Density: 1.04 g/cm³
• LogP: 2.54860
• Storage Temp.: Refrigerator
• Solubility.: Chloroform, Hexane (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 192.0917075
• Heavy Atom Count: 12
• Complexity: 109

Purity/Quality:

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

2-(4-Chlorobutoxy)tetrahydropyran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCOC(C1)OCCCCCl
• Uses: 2-(4-Chlorobutoxy)tetrahydropyran is a useful synthetic intermediate in the tetrahydropyranylation of alcohols under solvent-free conditions.

Technology Process of 2-(4-Chlorobutoxy)tetrahydropyran

There total 6 articles about 2-(4-Chlorobutoxy)tetrahydropyran 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: 99.0%

3,4-dihydro-2H-pyran (110-87-2) + 4-Chloro-1-butanol (928-51-8) → 1-chloro-4-tetrahydropyranyloxybutane (41302-05-0)

Guidance literature:

With pyridinium p-toluenesulfonate; In dichloromethane; at 20 ℃;

DOI:10.1021/jm010549o

Reference yield: 97.0%

4-Chloro-1-butanol (928-51-8) + 2-(phenylsulfonyl)tetrahydro-2H-pyran (96754-03-9) → 1-chloro-4-tetrahydropyranyloxybutane (41302-05-0)

Guidance literature:

With sodium hydrogencarbonate; magnesium bromide; In tetrahydrofuran; Ambient temperature; overnight (15-24 hrs);

DOI:10.1016/S0040-4039(00)80631-0

Reference yield: 94.0%

TETRAHYDROPYRANE (142-68-7) + 4-Chloro-1-butanol (928-51-8) → 1-chloro-4-tetrahydropyranyloxybutane (41302-05-0)

Guidance literature:

In dichloromethane; at 0 - 20 ℃; for 2h; Inert atmosphere;

DOI:10.1055/s-0032-1318366

upstream raw materials:

3,4-dihydro-2H-pyran

4-Chloro-1-butanol

2-(phenylsulfonyl)tetrahydro-2H-pyran

4-(tetrahydropyran-2-yloxy)butan-1-ol

Downstream raw materials:

5-methyl-1-hexanol

5,6-dimethyl-heptan-1-ol

4--butylalkohol

N,N,N-tris(((7-tetrahydro-2-pyranyl)oxy)-3-tosyl-3-azaheptyl)amine

Refernces

• 1、 Bouvry, Christelle,Cupif, Jean-Fran?ois,Franzetti, Milène,Hurvois, Jean-Pierre. "Total Synthesis of Phenanthropiperidine Alkaloids by Sequential Alkylation of N,N-Dibenzylaminoacetonitrile". . p. 6037 - 6051. Retrieved 2021/12/10.
• 2、 -. "Selexipag intermediates and method for preparing selexipag". Paragraph 0063; 0084; 0085; 0086; 0087; 0088. . Retrieved 2017/08/27.