Methyl D-prolinate
Basic information
- CAS
43041-12-9- Standard SMILES
COC(=O)[C@H]1CCCN1- InChIKey
BLWYXBNNBYXPPL-RXMQYKEDSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- Methyl D-prolinate
- IUPAC
- methyl (2R)-pyrrolidine-2-carboxylate
- English name
- methyl D-prolinate
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
43041-12-9Methyl D-prolinate(R)-methyl pyrrolidine-2-carboxylateD-Proline, methyl esterd-proline methyl ester(R)-proline methyl ester(R)-pyrrolidine-2-carboxylic acid methyl esterEON208T642EINECS 256-057-9(R)-2-(METHOXYCARBONYL)PYRROLIDINEMETHYL PROLINE, (R)-METHYL PROLINE, (+)-
Show more names
Proline Impurity 1
DTXSID401314597METHYL (R)-PYRROLIDINE-2-CARBOXYLATERefChem:817704DTXCID801744417256-057-9methyl (2R)-pyrrolidine-2-carboxylateMFCD06656665UNII-EON208T642
Database identifiers
- CAS
43041-12-9- PubChem CID
- 853476
- DTXSID
DTXSID401314597- UNII
- EON208T642
- EC Number
- 256-057-9
- Nikkaji
- J269.457C
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 169.9 · 169.9±33.0 °C(Predicted)
- Density
- 1.055 · 1.055±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- pka
- 8.23 · 8.23±0.10(Predicted)
- FDA UNII
- 208 T642 · EON208T642
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 235 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesD-Proline Methyl Ester, is a building block used for the synthesis of pharmaceutical compounds, such as Eletriptan (E505000) acting as an Antimigrene.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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