Basic information
- CAS
943750-38-7- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1c1ccc(Br)cc1- InChIKey
PZDPUQUIZKCNOF-UHFFFAOYSA-N- Molecular formula
- C15H20BrNO2
- Average molar mass
- 326.23 g/mol
- Monoisotopic mass
- 325.06774098
Names & identifiers
- Preferred name
- tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
- English name
- 2-(4-BROMO-PHENYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Molecular formula
- C15H20BrNO2
- Molecular weight
- 326.23
Names & synonyms
943750-38-7tert-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate2-(4-BROMO-PHENYL)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTERMFCD115063071-Pyrrolidinecarboxylic acid, 2-(4-bromophenyl)-, 1,1-dimethylethyl estertert-Butyl2-(4-bromophenyl)pyrrolidine-1-carboxylateSCHEMBL1778276DTXSID80695913PZDPUQUIZKCNOF-UHFFFAOYSA-N1-Boc-2-(4-bromophenyl)pyrrolidineAKOS016007793SB40130
Show more names
SY290227DB-079867CS-0129365Y13970EN300-3595217tert-Butyl 2-(4-bromophenyl)-pyrrolidine-1-carboxylate2-(4-Bromo-phenyl)-pyrrolidine-1-carboxylic acid t-butyl ester
Database identifiers
- CAS
943750-38-7- PubChem CID
- 53407516
- DTXSID
DTXSID80695913
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 382.9 · 382.9±42.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -2.25 · -2.25±0.40(Predicted)
- 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
Upstream & downstream products
Upstream raw materials
Suppliers29 total
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
南京玛奇朵医药科技有限公司19556085883 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
Young Lively PharminBlock Co.,Ltd18600731423 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
上海威芬奇医药科技有限公司13817485796 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都沸柏医药科技有限公司028-84641798 18782128315 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海智乾生物科技有限公司[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京索美科医药科技有限公司13464564313 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
上海凯美奇医药生物科技有限公司17621904867 · [email protected]
Related reactions
8 records
Compound notes
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