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122684-33-7

122684-33-7 Structure

122684-33-7 Structure
IdentificationMore
[Name]

Methyl 1-Boc-3-pyrrolidinecarboxylate
[CAS]

122684-33-7
[Synonyms]

1-TERT-BUTYL 3-METHYL PYRROLIDINE-1,3-DICARBOXYLATE
3-CARBOXY-1-BOC-PYRROLIDINE METHYL ESTER
METHYL 1-BOC-3-PYRROLIDINECARBOXYLATE
PYRROLIDINE-1,3-DICARBOXYLIC ACID 1-TERT-BUTYL ESTER 3-METHYL ESTER
TERT-BUTYL METHYL PYRROLIDINE-1,3-DICARBOXYLATE
METHYL 1-N-BOC-DL-BETA-PROLINATE
1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxylic acid methyl ester
1-(Tert-butoxycarbonyl)-3-methylpyrrolidine-3-carboxylic acid
1-Boc-3-pyrrolidine carboxylic Acid Methyl Ester
[Molecular Formula]

C11H19NO4
[MDL Number]

MFCD04038683
[Molecular Weight]

229.27
[MOL File]

122684-33-7.mol
Questions And AnswerBack Directory
[Synthesis]

Methyl 1-benzylpyrrolidine-3-carboxylate (1.13 g) was dissolved in ethyl acetate (100 mL). Palladium on carbon (10%, 385 mg) was added to the solution, followed by di-tert-butyl dicarbonate (1.35 g, 6.18 mmol, 1.2 equivalents). The mixture was hydrogenated at room temperature for 8 hours. The suspension was filtered through diatomaceous earth, and the filtrate was concentrated under vacuum. The residue was purified by silica gel chromatography (75:25, hexane-ethyl acetate).

Synthesis of 122684-33-7

Fig. Synthetic route of Methyl 1-Boc-3-pyrrolidinecarboxylate

Chemical PropertiesBack Directory
[Boiling point ]

105℃/0.2mm
[density ]

1.120±0.06 g/cm3(Predicted)
[refractive index ]

1.4560 to 1.4600
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

clear liquid
[pka]

-2.65±0.40(Predicted)
[color ]

Colorless to Light orange to Yellow
[InChI]

InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3
[InChIKey]

LIWFYAVKYUQMRE-UHFFFAOYSA-N
[SMILES]

N1(C(OC(C)(C)C)=O)CCC(C(OC)=O)C1
[CAS DataBase Reference]

122684-33-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
[HS Code ]

2933998090
Hazard InformationBack Directory
[Chemical Properties]

Colorless to Light orange to Yellow clear liquid
[Uses]

Methyl 1-BOC-3-pyrrolidinecarboxylate is used as a synthetic intermediate.
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 1-Boc-3-pyrrolidinecarboxylate(122684-33-7)1HNMR
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