Basic information
- CAS
185693-02-1- Standard SMILES
CC(C)(C)OC(=O)N1CCC2CNCC21- InChIKey
OIKZNKIPPFFTKA-UHFFFAOYSA-N- Molecular formula
- C11H20N2O2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.15247788
Names & identifiers
- Preferred name
- tert-butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate
- IUPAC
- tert-butyl 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
- English name
- HEXAHYDRO-PYRROLO[3,4-B]PYRROLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Molecular formula
- C11H20N2O2
- Molecular weight
- 212.29
Names & synonyms
185693-02-1tert-butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylateHEXAHYDRO-PYRROLO[3,4-B]PYRROLE-1-CARBOXYLIC ACID TERT-BUTYL ESTERtert-butyl 3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylateMFCD06739059tert-butyl octahydropyrrolo[2,3-c]pyrrole-1-carboxylate1-Boc-hexahydropyrrolo[3,4-b]pyrrolerel-tert-butyl (3aS,6aS)-octahydropyrrolo[2,3-c]pyrrole-1-carboxylateOIKZNKIPPFFTKA-UHFFFAOYSA-NSCHEMBL1035621SCHEMBL4439309DTXSID50659209
Show more names
1-N-Boc-hexahydro-pyrrolo[3,4-b]pyrroletert-Butyl hexahydropyrrolo3,4-bpyrrol-1(2H)-carboxylateTert-Butylhexahydropyrrolo[3,4-b]pyrrole-1(2h)-carboxylateHEXAHYDRO-PYRROLO[3,4-B]PYRROLE-1-CARBOXYLIC ACID TERT-BUTYLtert-butyl octahydropyrrolo[2,3-c]pyrrole-1-carboxylate - [B6480]1,1-Dimethylethyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylateaHEXAHYDRO-PYRROLO[3,4-B]PYRROLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Boiling point
- 295.4 · 295.4±13.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- pka
- 10.66 · 10.66±0.20(Predicted)
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 185693 · 185693-02-1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesTert-butyl hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate is used as a reactant in the integrated synthesis and testing of substituted xanthine based DPP4 inhibitors: application to drug discovery.
Suppliers59 total
泰州葛林美克医药科技有限公司15366892466
苏州启航生物科技有限公司18151111370 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
上海相辉医药科技有限公司13761987713 · [email protected]
Apeloa Pharmaceutical Co., Ltd.+86-0571-87635730 +8615858229168 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
Related reactions
30 records
Compound notes
Loading…