N-Boc-3-pyrrolidinone , 97% , 101385-93-7

Synonym(s):
N-(tert-Butoxycarbonyl)-3-pyrrolidinone

CAS NO.：101385-93-7

Empirical Formula: C9H15NO3

Molecular Weight: 185.22

MDL number: MFCD01631194

EINECS: 600-204-5

PRODUCT Properties

• Melting point: 34-38 °C (lit.)
• Boiling point: 270.9±33.0 °C(Predicted)
• Density: 1.133±0.06 g/cm3(Predicted)
• Flash point: >230 °F
• storage temp.: 2-8°C
• solubility: Dichloromethane, Ethyl Acetate, Methanol
• pka: -1.79±0.20(Predicted)
• form: Low Melting Solid
• color: White to yellow to orange
• Water Solubility: Insoluble in water.
• InChI: InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3
• InChIKey: JSOMVCDXPUXKIC-UHFFFAOYSA-N
• SMILES: N1(C(OC(C)(C)C)=O)CCC(=O)C1
• CAS DataBase Reference: 101385-93-7(CAS DataBase Reference)

Description and Uses

N-Boc-3-pyrrolidinone is an organic compound insoluble in water. It is a starting material for the synthesis of spirocyclic tetrahydrofuran and is also used in studies related to the preparation of 5-membered heterocyclic secondary alcohols with carrot as a biocatalyst^[1].

Used in a study of asymmetric hydrogen-transfer bioreduction of ketones with Leifsonia alcohol dehydrogenase.

Safety

• Symbol(GHS): GHS05,GHS07
• Signal word: Danger
• Hazard statements: H302-H315-H318-H335
• Precautionary statements: P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
• Hazard Codes: Xn,Xi
• Risk Statements: 22-37/38-41-36/37/38-20/21/22
• Safety Statements: 26-36/37/39-36
• WGK Germany: 3
• Hazard Note: Irritant
• HS Code: 29339900