1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate

HCID 394147

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Basic information

CAS: 145681-01-2
Standard SMILES: COC(=O)C1CCCN1C(=O)OC(C)(C)C
InChIKey: WVDGSSCWFMSRHN-UHFFFAOYSA-N
Molecular formula: C11H19NO4
Average molar mass: 229.27 g/mol
Monoisotopic mass: 229.13140809

Names & identifiers

Preferred name: 1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate
IUPAC: 1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate
English name: Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
Molecular formula: C11H19NO4
Molecular weight: 229.27

Names & synonyms

145681-01-21-tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylateDTXSID60327861RefChem:235332DTXCID30278972849-128-6Methyl 1-Boc-2-pyrrolidinecarboxylatePyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) 2-methyl esterMFCD03762834NSC6973811-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate

Show more names

1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarbo...t-BOC-L-Pro-OMeBoc-DL-Pro-OMe-OH1-Boc-2-methyl pyrrolidineBoc-DL-proline Methyl esterMethyl 1-Boc-pyrrolidine-2-carboxylate1-Boc-2-pyrrolidinecarboxylic acid Methyl ester1-(tert-Butyl) 2-methyl 1,2-pyrrolidinedicarboxylate

1-Boc-L-proline Methyl EsterO1-tert-butyl O2-methyl pyrrolidine-1,2-dicarboxylateMETHYL N-BOC-PYRROLIDINE-2-CARBOXYLATE(S)-1-tert-Butyl 2-methyl pyrrolidine-1,2-dicarboxylate1-(tert-butyl) 2-methyl pyrrolidine-1,2-dicarboxylateBoc-DL-Pro-OMeBoc-L-proline methyl esterSCHEMBL190042

Database identifiers

CAS: 145681-01-2
PubChem CID: 394147
DTXSID: DTXSID60327861
ChEMBL: CHEMBL2001025
EC Number: 849-128-6
Nikkaji: J1.907.456K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 55.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 282

Physicochemical properties

Boiling point: 288.6 · 288.6±33.0 °C(Predicted)
Density: 1.12 · 1.120±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: -3.35 · -3.35±0.40(Predicted)
Appearance: Colorless to light yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.