N-Boc-3-pyrrolidinone - CAS 101385-93-7

Catalog:	BB000495
Product Name:	N-Boc-3-pyrrolidinone
CAS:	101385-93-7
Synonyms:	tert-butyl 3-oxopyrrolidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	tert-butyl 3-oxopyrrolidine-1-carboxylate
Description:	N-Boc-3-pyrrolidinone (CAS# 101385-93-7) is a starting material and also functions as a useful intermediate for organic synthesis.
Molecular Weight:	185.22
Molecular Formula:	C9H15NO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(=O)C1
InChI:	InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3
InChI Key:	JSOMVCDXPUXKIC-UHFFFAOYSA-N
Boiling Point:	270.9 °C at 760 mmHg
Purity:	97.0 %
Density:	1.133 g/cm³
MDL:	MFCD01631194
LogP:	1.13420

Publication Number	Title	Priority Date
CN-111606836-A	Preparation method of R-N-Boc-3-pyrrolidineacetic acid	20200612
CN-111606836-B	Preparation method of R-N-Boc-3-pyrrolidineacetic acid	20200612
WO-2021201120-A1	Agent for treating inflammatory bowel disease, and amide compound or salt thereof	20200331
WO-2021201126-A1	Amide compound or salt thereof, pharmaceutical composition and histone deacetylase inhibitor	20200331
WO-2021188949-A1	3-diarylmethylenes and uses thereof	20200320

PMID	Publication Date	Title	Journal
19243142	20090318	New synthetic technologies for the construction of heterocycles and tryptamines	Journal of the American Chemical Society
11985623	20020501	Chiral alcohol production by NADH-dependent phenylacetaldehyde reductase coupled with in situ regeneration of NADH	European journal of biochemistry

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea

Pyrrolidines

[1427004-19-0]
DBCO-PEG4-NHS ester
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1096881-75-2]
1-Benzhydryl-3-pyrrolidinone
[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[14398-95-9]
Ethyl 1-methylpyrrolidine-3-carboxylate
[98841-68-0]
N-(2-Hydroxybenzoyl)pyrrolidine

GHS Hazard Statement:	H302 (84%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.10519334
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	185.10519334
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7