cis-5-Oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylic acid tert-butyl ester - CAS 146231-54-1
Catalog: |
BB010062 |
Product Name: |
cis-5-Oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylic acid tert-butyl ester |
CAS: |
146231-54-1 |
Synonyms: |
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-oxo-, 1,1-dimethylethyl ester, (3aR,6aS)-rel-; Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-5-oxo-, 1,1-dimethylethyl ester, cis-; rel-1,1-Dimethylethyl (3aR,6aS)-hexahydro-5-oxocyclopenta[c]pyrrole-2(1H)-carboxylate; (1α,5α)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.3.0]octan-7-one; (3aR,6aS)-5-Oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylic acid 1,1-dimethylethyl ester; (3AR,6aS)-5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylic acid tert-butyl ester; cis-Tert-butyl 5-oxohexahydrocyclopenta[C]pyrrole-2(1H)-carboxylate |
Related CAS: | 2952823-35-5 (Absolute stereochemistry)
|
IUPAC Name: | rel-tert-butyl (3aR,6aS)-5-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate |
Description: | (3aR,6aS)-2-Boc-5-oxohexahydrocyclopenta[c]pyrrole (CAS# 146231-54-1 ) is a useful research chemical. |
Molecular Weight: | 225.28 |
Molecular Formula: | C12H19NO3 |
Canonical SMILES: | O=C(OC(C)(C)C)N1CC2CC(=O)CC2C1 |
InChI: | InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-10(14)5-9(8)7-13/h8-9H,4-7H2,1-3H3/t8-,9+ |
InChI Key: | GGNDIMLSSMWKDR-DTORHVGONA-N |
Boiling Point: | 325.8±35.0°C at 760 mmHg |
Melting Point: | 70-71°C |
Purity: | ≥95% |
Density: | 1.139±0.06 g/cm3 |
Appearance: | White to Yellow Solid |
Storage: | Store at 2-8°C |
LogP: | 1.77030 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112679411-A | Preparation method of chiral 5- (methylamino) hexahydrocyclopenta [ c ] pyrrole-2 (1H) -Boc methanesulfonate | 20201231 |
CN-113292536-A | Compound capable of degrading Bcr-Abl or PARP and preparation method and pharmaceutical application thereof | 20200221 |
WO-2021156636-A1 | Triazole derivatives with antifungal activity | 20200205 |
WO-2021119254-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20191210 |
WO-2021119265-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20191210 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.13649347 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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