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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C9H15NO3
CAS Number:
85909-08-6
Molecular Weight:
185.22
NACRES:
NA.22
PubChem Substance ID:
24870226
UNSPSC Code:
12352100
MDL number:
MFCD00674099
Assay:
97%

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InChI

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

SMILES string

CC(C)(C)OC(=O)N1CCCC1=O

InChI key

GJJYYMXBCYYXPQ-UHFFFAOYSA-N

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.)

Quality Level

100

Related Categories

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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN7172
MKCK3119
MKCJ1144
MKCG2316
MKBZ7836V

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Kinetics of elimination of several heterocyclic carbamates in the gas phase.
Brusco Y, et al.
Journal of Physical Organic Chemistry, 15(12), 796-800 (2002)

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