Hexahydro-oxazolo[3,4-a]pyridin-3-one

Base Information

• Chemical Name: Hexahydro-oxazolo[3,4-a]pyridin-3-one
• CAS No.: 42329-17-9
• Molecular Formula: C7H11NO2
• Molecular Weight: 141.16800
• DSSTox Substance ID: DTXSID40506652
• Nikkaji Number: J742.302K
• Mol file: 42329-17-9.mol

Synonyms:Hexahydro-oxazolo[3,4-a]pyridin-3-one;42329-17-9;1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one;HEXAHYDRO-1H-[1,3]OXAZOLO[3,4-A]PYRIDIN-3-ONE;SCHEMBL8584952;DTXSID40506652;D87354;Hexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-3-one

Chemical Property of Hexahydro-oxazolo[3,4-a]pyridin-3-one

Chemical Property:

• Melting Point: 11-13 °C
• Boiling Point: 96 °C(Press: 0.08 Torr)
• PKA: -1.34±0.20(Predicted)
• PSA: 29.54000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 0.92900
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 141.078978594
• Heavy Atom Count: 10
• Complexity: 158

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Hexahydro-oxazolo[3,4-a]pyridin-3-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN2C(C1)COC2=O

Technology Process of Hexahydro-oxazolo[3,4-a]pyridin-3-one

There total 6 articles about Hexahydro-oxazolo[3,4-a]pyridin-3-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: 67.0%

N-benzyloxycarbonyl-5-hexenylamine (86990-51-4) → hexahydro-3H-oxazolo<3,4-a>pyridin-3-one (42329-17-9) + benzyl 2-(phenylselenomethyl)piperidine-1-carboxylate (166107-50-2)

Guidance literature:

With Phenylselenyl chloride; silica gel; In dichloromethane; for 24h; Ambient temperature;

Reference yield: 64.0%

N-benzyloxycarbonyl-5-hexenylamine (86990-51-4) → benzyl 3-chloroazepane-1-carboxylate (1011527-45-9) + hexahydro-3H-oxazolo<3,4-a>pyridin-3-one (42329-17-9)

Guidance literature:

N-benzyloxycarbonyl-5-hexenylamine; With dichloro bis(acetonitrile) palladium(II); N-chloro-succinimide; In dichloromethane; for 18h; Inert atmosphere;

In acetonitrile; for 18h; Reflux; Inert atmosphere;

DOI:10.1021/ol702922c

Reference yield: 63.0%

N-Ethoxycarbonylhex-5-enylamine (112476-25-2) → hexahydro-3H-oxazolo<3,4-a>pyridin-3-one (42329-17-9) + ethyl 2-(phenylselenomethyl)piperidine-1-carboxylate (166107-36-4)

Guidance literature:

With Phenylselenyl chloride; silica gel; In dichloromethane; within 30 min from 0 deg C to room temp., 27 h at room temp.;

upstream raw materials:

Phenylselenyl chloride

N-benzyloxycarbonyl-5-hexenylamine

N-Ethoxycarbonylhex-5-enylamine

(8aSR)-1,7,8,8a-tetrahydrooxazolo[3,4-a]pyridin-3-one

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