464856

1-(tert-Butoxycarbonyl)-2-pyrrolidinone

97%

• Synonym(s): 1,1-Dimethylethyl 2-oxo-1-pyrrolidinecarboxylate, 1-(tert-Butoxycarbonyl)-2-oxopyrrolidine, 1-(tert-Butoxycarbonyl)pyrrolidin-2-one, 2-Oxopyrrolidine-1-carboxylic acid tert-butyl ester, N-(tert-Butoxycarbonyl)pyrrolidin-2-one, N-(tert-Butyloxycarbonyl)pyrrolidin-2-one, N-Boc-2-pyrrolidinone, N-tert-Butoxycarbonyl-2-oxopyrrolidine, tert-Butyl 2-Oxopyrrolidine-1-carboxylate
• Empirical Formula (Hill Notation): C₉H₁₅NO₃
• CAS Number: 85909-08-6
• Molecular Weight: 185.22
• MDL number: MFCD00674099
• UNSPSC Code: 12352100
• PubChem Substance ID: 24870226
• NACRES: NA.22

Properties

• Assay: 97%
• refractive index: n20/D 1.466 (lit.)
• bp: 100-105 °C/0.5 mmHg (lit.)
• density: 1.086 g/mL at 25 °C (lit.)
• SMILES string: CC(C)(C)OC(=O)N1CCCC1=O
• InChI: 1S/C9H15NO3/c1-9(2,3)13-8(12)10-6-4-5-7(10)11/h4-6H2,1-3H3
• InChI key: GJJYYMXBCYYXPQ-UHFFFAOYSA-N

Description

General description

The kinetics of gas-phase elimination of 1-(tert-butoxycarbonyl)-2-pyrrolidinone has been investigated in a static system. The observed rate coefficient has been reported to be log k₁(s^-1) = (11.54 ± 0.29) -(140.8 ± 2.8)­kJmol^-1 (2.303RT)^-1.

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 235.4 °F - closed cup
• Flash Point(C): 113 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves