Basic information
- CAS
504-72-3- Standard SMILES
C1CNOC1- InChIKey
CIISBYKBBMFLEZ-UHFFFAOYSA-N- Molecular formula
- C3H7NO
- Average molar mass
- 73.09 g/mol
- Monoisotopic mass
- 73.05276384
Overview
1,2-oxazolidine is an oxazolidine.
Names & identifiers
- Preferred name
- Isoxazolidine
- IUPAC
- 1,2-oxazolidine
- English name
- Isoxazolidine
- Molecular formula
- C3H7NO
- Molecular weight
- 73.09
Names & synonyms
Isoxazolidine1,2-OxazolidineIsoxazole, tetrahydro-CHEBI:50311DTXSID901984453-(3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl)-5-ethoxy-2-phenylisoxazolidine3-[3-(4-Bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-5-ethoxy-2-phenylisoxazolidineRefChem:150160DTXCID20120936(3aS,5aS,7R,8R,8aS)-1-benzyl-8-(benzyloxy)-7-((benzyloxy)methyl)hexahydro-1H-furo (2',3':2,3)furo(3,4-c)isoxazole(3aS,5aS,7R,8R,8aS)-1-benzyl-8-(benzyloxy)-7-((benzyloxy)methyl)hexahydro-1H-furo [2',3':2,3]furo[3,4-c]isoxazoleCIISBYKBBMFLEZ-UHFFFAOYSA-N
Show more names
CHEMBRDG-BB 4013261TetrahydroisoxazoleASINEX-REAG BAS 08767850Isoxazolidine hydrochlorideisoxazolidine(SALTDATA: HCl 0.03NH4Cl 0.01NaCl)
504-72-32-Isoxazolidine1-Oxa-2-azacyclopentaneSCHEMBL8976SCHEMBL20541SCHEMBL22606SCHEMBL23543SCHEMBL23803
Database identifiers
- CAS
504-72-3- PubChem CID
- 136333
- DTXSID
DTXSID90198445- ChEBI
CHEBI:50311- Nikkaji
- J102.120F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30.1
Physicochemical properties
- Boiling point
- 59.2 · 59.2±23.0 °C(Predicted)
- Density
- 0.964 · 0.964±0.06 g/cm3(Predicted)
- pka
- 5.5 · 5.50±0.20(Predicted)
- Hazard Codes
- Xi
Safety & regulation
Safety data
- hazard_code
- Xi
Chemistry & industry
Applications
UsesIsoxazolidine Hydrochloride is used to form isoxazolidides by high yield acylation.
Suppliers5 total
上海爱孜康医药研究有限公司18721109360 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Additional notes
DefinitionChEBI: 1,2-oxazolidine is an oxazolidine.
Related reactions
18 records
Compound notes
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