3-Chloro-tetrahydro-pyran-4-one

Base Information

• Chemical Name: 3-Chloro-tetrahydro-pyran-4-one
• CAS No.: 160427-98-5
• Molecular Formula: C5H7ClO2
• Molecular Weight: 134.56
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50447542
• Mol file: 160427-98-5.mol

Synonyms:160427-98-5;3-CHLORO-TETRAHYDRO-PYRAN-4-ONE;3-chlorooxan-4-one;3-Chlorodihydro-2H-pyran-4(3H)-one;3-Chlorotetrahydropyran-4-one;MFCD11858310;starbld0016988;SCHEMBL5527655;DTXSID50447542;AKOS016003447;SB34013;AS-47391;SY030110;CS-0340573;FT-0721947;F13568

Chemical Property of 3-Chloro-tetrahydro-pyran-4-one

Chemical Property:

• Boiling Point: 238.7±25.0 °C(Predicted)
• PSA: 26.30000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 0.58320
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 134.0134572
• Heavy Atom Count: 8
• Complexity: 103

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-tetrahydro-pyran-4-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1COCC(C1=O)Cl
• Uses: 3-Chloro-tetrahydro-pyran-4-one is used as a reactant in the synthesis of naphthyridine derivatives as chemokine receptor antagonists useful in the treatment of pain.

Technology Process of 3-Chloro-tetrahydro-pyran-4-one

There total 1 articles about 3-Chloro-tetrahydro-pyran-4-one 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:

Tetrahydro-4H-pyran-4-one (29943-42-8,143562-54-3) → 3-chlorodihydro-2H-pyran-4(3H)-one (160427-98-5)

Guidance literature:

With thionyl chloride; In tetrachloromethane; at 20 ℃; for 4h;

DOI:10.1016/j.bmc.2007.11.006

Reference yield:

3-hydroxy-4-methoxybenzoate (6702-50-7) + 3-chlorodihydro-2H-pyran-4(3H)-one (160427-98-5) → methyl 4-methoxy-3-(4-oxotetrahydropyran-3-yloxy)benzoate

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide;

Reference yield:

thiourea (17356-08-0) + 3-chlorodihydro-2H-pyran-4(3H)-one (160427-98-5) → 2-amino-6,7-dihydro-4H-pyrano[4,3-d]-thiazole (259810-12-3)

Guidance literature:

In tetrahydrofuran; ethanol; for 12h; Reflux;

upstream raw materials:

Tetrahydro-4H-pyran-4-one

Downstream raw materials:

6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-amine hydrochloride

2-amino-6,7-dihydro-4H-pyrano[4,3-d]-thiazole

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