Basic information
- CAS
876317-19-0- Standard SMILES
CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)O- InChIKey
CKYGSXRXTIKGAJ-UHFFFAOYSA-N- Molecular formula
- C10H15NO5
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.09502258
Names & identifiers
- Preferred name
- 1-((Tert-butoxy)carbonyl)-4-oxopyrrolidine-2-carboxylic acid
- IUPAC
- 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid
- English name
- 1-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid
- Molecular formula
- C10H15NO5
- Molecular weight
- 229.23
Names & synonyms
1-[(tert-butoxy)carbonyl]-4-oxopyrrolidine-2-carboxylic acid1-((Tert-butoxy)carbonyl)-4-oxopyrrolidine-2-carboxylic acidRefChem:419088813-854-1876317-19-01-(tert-butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid1-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylicacidN-Boc-4-oxo-DL-ProlineMFCD026681691-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acidBoc-4-Oxo-D-Pro-OH1-(tert-butoxycarbonyl)-4-oxoproline
Show more names
BOC- 4-OXOPYRROLIDINE-2-CARBOXYLIC ACID1-Boc-4-oxo-2-pyrrolidinecarboxylic acidN-BOC-4-oxopyrrolidine-2-carboxylic acid4-OXOPYRROLIDINE-2-CARBOXYLIC ACID, N-BOC PROTECTED4-Oxopyrrolidine-2-carboxylic acid, N-BOC protected 97%1-tert-(Butoxycarbonyl)pyrrolidin-4-one-2-carboxylic acid4-OXO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER
1-[(tert-Boc-DL-4-oxo-Pro-OHSCHEMBL204966(2S)-1-TERT-BUTYL HYDROGEN 4-OXOPYRROLIDINE-1,2-DICARBOXYLATEDTXSID10399957AKOS015900150CS-W018880SB13453
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 155 °C · 155 °C
- Boiling point
- 390.8 · 390.8±42.0 °C(Predicted)
- Density
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- solid
- pka
- 3.85 · 3.85±0.20(Predicted)
- color
- Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses1-[(tert-Butoxy)carbonyl]-4-oxopyrrolidine-2-carboxylic Acid may be useful in the preparation of pyridinylethynyldihydropyrroloquinazolinone derivatives and analogs for use as metabotropic glutamate receptor 5 modulators.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers62 total
上海康恩博医药科技有限公司17510465506 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Related reactions
12 records
Compound notes
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