Ethanone, 2-chloro-1-(tetrahydro-2H-pyran-2-yl)-(9CI)

Base Information

• Chemical Name: Ethanone, 2-chloro-1-(tetrahydro-2H-pyran-2-yl)-(9CI)
• CAS No.: 141061-07-6
• Molecular Formula: C7H11ClO2
• Molecular Weight: 162.61404
• European Community (EC) Number: 835-220-3
• Mol file: 141061-07-6.mol

Synonyms:141061-07-6;Ethanone, 2-chloro-1-(tetrahydro-2H-pyran-2-yl)- (9CI);2-chloro-1-(oxan-2-yl)ethanone;2-CHLORO-1-(OXAN-2-YL)ETHAN-1-ONE;2-(2-Chloroacetyl)tetrahydropyran;SCHEMBL8004569;FMSSLEJLVMFYLB-UHFFFAOYSA-N;2- (2-Chloroacetyl)tetrahydropyran;AKOS006383733;EN300-1071020;Ethanone,2-chloro-1-(tetrahydro-2H-pyran-2-yl)-(9ci);Z1205660981

Chemical Property of Ethanone, 2-chloro-1-(tetrahydro-2H-pyran-2-yl)-(9CI)

Chemical Property:

• PSA: 26.30000
• LogP: 1.36340
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 162.0447573
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

98%min ^*data from raw suppliers

2-(2-Chloroacetyl)tetrahydropyran ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCOC(C1)C(=O)CCl

Technology Process of Ethanone, 2-chloro-1-(tetrahydro-2H-pyran-2-yl)-(9CI)

There total 3 articles about Ethanone, 2-chloro-1-(tetrahydro-2H-pyran-2-yl)-(9CI) 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:

diazomethane (186581-53-3,908094-01-9,334-88-3) + tetrahydropyran-2-carboxylic acid (51673-83-7) + oxalyl dichloride (79-37-8) → 2-(2-chloroacetyl)tetrahydropyran (141061-07-6)

Guidance literature:

With hydrogenchloride; In hexane; dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

tetrahydropyran-2-carboxylic acid (51673-83-7) → 2-(2-chloroacetyl)tetrahydropyran (141061-07-6)

Guidance literature:

Multi-step reaction with 2 steps

1: (COCl)2 / dimethylformamide; CH₂Cl₂

2: 2.) HCl

With hydrogenchloride; oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide;

DOI:10.7164/antibiotics.47.253

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + tetrahydropyran-2-carboxylic acid chloride (147164-53-2,40053-81-4,154001-94-2) → 2-(2-chloroacetyl)tetrahydropyran (141061-07-6)

Guidance literature:

With hydrogenchloride; Multistep reaction;

DOI:10.7164/antibiotics.47.253

upstream raw materials:

diazomethane

tetrahydropyran-2-carboxylic acid chloride

tetrahydropyran-2-carboxylic acid

oxalyl dichloride

Downstream raw materials:

(6R,7R)-8-Oxo-7-(2-phenoxy-acetylamino)-3-(tetrahydro-pyran-2-yl)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester

(6R,7R)-7-{2-[(Z)-Methoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-8-oxo-3-(S)-tetrahydro-pyran-2-yl-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester

(6R,7R)-7-{2-[(Z)-Methoxyimino]-2-[2-(trityl-amino)-thiazol-4-yl]-acetylamino}-8-oxo-3-(R)-tetrahydro-pyran-2-yl-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester

(3R,4R)-3-Phenylacetamido-4-[(RS)-tetrahydro-pyran-2-ylcarbonylmethylthio]azetidin-2-one