N-Boc-3-Pyrrolidinone

CAS Number: 101385-93-7

Molecular Formula: C9H15NO3

Purity: N-Boc-3-Pyrrolidinone 97% purity

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About N-Boc-3-Pyrrolidinone

N-Boc-3-Pyrrolidinone (CAS 101385-93-7) is a pivotal scaffold in the API intermediates market, primarily utilized for the stereoselective synthesis of chiral 3-substituted pyrrolidine derivatives and complex heterocyclic drug candidates targeting neurological disorders, where high purity fine chemicals (Pharma/API puri...

N-Boc-3-Pyrrolidinone Specifications

CAS Number

101385-93-7

Molecular Formula

C9H15NO3

Molecular Weight

185.22 g/mol

IUPAC Name

tert-butyl 3-oxopyrrolidine-1-carboxylate

Canonical SMILES

CC(C)(C)OC(=O)N1CCC(=O)C1

InChI Key

JSOMVCDXPUXKIC-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3

PubChem CID

471360

EINECS Number

693-830-9

MDL Number

MFCD01631194

HSN No

29339900

CAS Number

101385-93-7

Molecular Formula

C9H15NO3

Molecular Weight

185.22 g/mol

IUPAC Name

tert-butyl 3-oxopyrrolidine-1-carboxylate

Canonical SMILES

CC(C)(C)OC(=O)N1CCC(=O)C1

InChI Key

JSOMVCDXPUXKIC-UHFFFAOYSA-N

InChI

InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3

PubChem CID

471360

EINECS Number

693-830-9

MDL Number

MFCD01631194

HSN No

29339900

Molecular Weight

185.22 g/mol

Purity

N-Boc-3-Pyrrolidinone 97% purity

Melting Point

34-38 °C

Boiling Point

270.9±33.0 °C (Predicted)

Freezing point

34-38°C

Flash Point

110 °C

Density

1.133 g/cm3

pKa

-1.79±0.20

logP

0.7

Vapour pressure

0.00667 mmHg at 25 °C

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P280, P301+P312+P330, P302+P352, P304+P340+P312, P305+P351+P338+P310, P332+P313, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 Oral (100%) Eye Dam. 1 (100%)

Pharmaceutical Intermediate

An essential building block used in the synthesis of diverse medicinal compounds and bioactive molecules, particularly those targeting neurological disorders

Organic Synthesis Building Block

A versatile heterocyclic reagent employed in the construction of complex molecular architectures, including spirocyclic scaffolds and functionalized heterocycles

Polymer Chemistry Intermediate

A functionalized monomer used to develop specialty polymers with tailored properties such as enhanced thermal stability and flexibility for materials science applications