Basic information
- CAS
37663-46-0- Standard SMILES
O=C1OC2(CCNCC2)c2ccccc21- InChIKey
RNMPNVBLQHYANU-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 3H-spiro(isobenzofuran-1,4'-piperidin)-3-one
- IUPAC
- spiro[2-benzofuran-3,4'-piperidine]-1-one
- English name
- Spiro[isobenzofuran-1(3H),4'-piperidin]-3-one
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
3H-spiro[isobenzofuran-1,4'-piperidin]-3-one37663-46-0DTXSID504314613H-spiro(isobenzofuran-1,4'-piperidin)-3-oneRefChem:1068993DTXCID00382292SPIRO[ISOBENZOFURAN-1(3H),4'-PIPERIDIN]-3-ONEspiro[2-benzofuran-3,4'-piperidine]-1-oneMFCD110454153H-spiro[2-benzofuran-1,4'-piperidine]-3-one3H-spiro[2-benzofuran-1,4'-piperidin]-3-one3H-spiro[isobenzofuran-1,4-piperidin]-3-one
Show more names
Spiro[phthalan-1,4'-piperidin]-3-one3H-spiro[isobenzofuran-1,4'-piperidin]-3-one?New
F2167-1156Spiro[isobenzofuran-3,4'-piperidine]-1-one3-oxospiro[isobenzofuran-1(3H),4'-piperidine]SCHEMBL171980SCHEMBL3401467SCHEMBL29674557RNMPNVBLQHYANU-UHFFFAOYSA-NSMSSF-0597568
Database identifiers
- CAS
37663-46-0- PubChem CID
- 9834255
- DTXSID
DTXSID50431461
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 132 · 132-133 °C
- Boiling point
- 406.8 · 406.8±45.0 °C(Predicted)
- Density
- 1.25 · 1.25
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 9.98 · 9.98±0.20(Predicted)
- Appearance
- Off-white to light yellow Solid
Chemistry & industry
Applications
Uses3H-Spiro[2-benzofuran-1,4''-piperidine]-3-one is used in the preparation of cyltransferase 1 Inhibitors.
Upstream & downstream products
Upstream raw materials
Suppliers34 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海爱孜康医药研究有限公司18721109360 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海源鼎化学科技有限公司21-57721279 18121011378 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Related reactions
51 records
Compound notes
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