Basic information
- CAS
2055223-76-0- Standard SMILES
CC(C)(C)OC(=O)N1CC(O)C(F)C1- InChIKey
KTBDFQPHEPDHQW-UHFFFAOYSA-N- Molecular formula
- C9H16FNO3
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.11142153
Names & identifiers
- Preferred name
- Tert-butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylate
- English name
- tert-butyl cis-3-fluoro-4-hydroxypyrrolidine-1-carboxylate
- Molecular formula
- C9H16FNO3
- Molecular weight
- 205.23
Names & synonyms
TERT-BUTYL 3-FLUORO-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE1379325-25-3869481-93-6MFCD120321062055223-76-0cis-tert-Butyl 3-fluoro-4-hydroxypyrrolidine-1-carboxylatetert-butyl cis-3-fluoro-4-hydroxypyrrolidine-1-carboxylate1-BOC-3-FLUORO-4-HYDROXYPYRROLIDINETert-butyl 3-fluoro-4-hydroxy-pyrrolidine-1-carboxylateSCHEMBL951941tert-Butyl (3R,4R)-3-fluoro-4-hydroxy-pyrrolidine-1-carboxylate1-Boc-4-fluoropyrrolidin-3-ol
Show more names
cis-1-Boc-3-fluoro-4-hydroxypyrrolidinecis-3-Fluoro-4-hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester1-Pyrrolidinecarboxylic acid, 3-fluoro-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4S)-rel-
TERT-BUTYL 3-FLUORO-4-HYDROXYPYRIDINE-1-CARBOXYLATEFHD22376AKOS023091030PB21472SB10503SB11004SB12864SB20921
Database identifiers
- CAS
2055223-76-0- PubChem CID
- 53249784
- EC Number
- 189-736-2
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 282.3 · 282.3±40.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.54 · 13.54±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers29 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
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]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
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上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
杭州安诚嘉信生物科技有限公司571-89925085 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
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江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
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安徽今昱生物化工产品技术研发有限公司055167162561 13295518198
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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南京鼎石生物技术有限公司13501719342 13501719342 · [email protected]
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南京药石科技股份有限公司4000255188 13327728092 · [email protected]
Related reactions
2 records
Compound notes
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