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Basic information
- CAS
1172623-96-9- Standard SMILES
C#CCC(NC(=O)OC(C)(C)C)C(=O)c1cc(F)ccc1F- InChIKey
FCPUEOMVOKWZQD-UHFFFAOYSA-N- Molecular formula
- C16H17F2NO3
- Average molar mass
- 309.312 g/mol
- Monoisotopic mass
- 309.11764984
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl N-[1-(2,5-difluorobenzoyl)-3-butyn-1-yl]carbamate
- IUPAC
- tert-Butyl [1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbamate
- English name
- tert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMate
- Molecular formula
- C16H17F2NO3
- Molecular weight
- 309.31
Names & synonyms
TB-21232-(Boc-amino)-1-(2,5-difluorophenyl)-4-pentyn-1-onetert-butyl 1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-ylcarbaMatetert-butyl[1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbam...tert-Butyl [1-(2,5-difluorophenyl)-1-oxo-4-pentyn-2-yl]carbamatetert-butyl N-[1-(2,5-difluorophenyl)-1-oxopent-4-yn-2-yl]carbamateCarbamic acid, N-[1-(2,5-difluorobenzoyl)-3-butyn-1-yl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1172623-96-9- PubChem CID
- 57788657
- DTXSID
DTXSID501162634
Properties
Physicochemical properties
- Boiling point
- 429.7 · 429.7±45.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 10.2 · 10.20±0.46(Predicted)
- Appearance
- Off-white to yellow Solid
- InChI
- InChI=1S/C16H17F2NO3/c1-5-6-13(19-15(21)22-16(2,3)4)14(20)11-9-10(17)7-8-12(11)18/h1,7-9,13H,6H2,2-4H3,(H,19,21)
- InChIKey
- FCPUEOMVOKWZQD-UHFFFAOYSA-N
- SMILES
- C(OC(C)(C)C)(=O)NC(C(=O)C1=CC(F)=CC=C1F)CC#C
Chemistry & industry
Applications
Usestert-Butyl (1-(2,5-Difluorophenyl)-1-oxopent-4-yn-2-yl)carbamate is used as a reactant in the preparation of a highly functionalized tetrahydropyran DPP-4 inhibitor.
Suppliers56 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
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学研惠（武汉）科技有限公司15727060112 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
上海磐索医药科技有限公司021-20962833 15316628753 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
Related reactions
4 records
Compound notes
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