1-Boc-2-(2-chloroacetyl)pyrrolidine - CAS 848819-60-3

Catalog:	BB037346
Product Name:	1-Boc-2-(2-chloroacetyl)pyrrolidine
CAS:	848819-60-3
Synonyms:	2-(2-chloro-1-oxoethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 2-(2-chloroacetyl)pyrrolidine-1-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl 2-(2-chloroacetyl)pyrrolidine-1-carboxylate
Description:	1-Boc-2-(2-chloroacetyl)pyrrolidine (CAS# 848819-60-3) is a useful research chemical.
Molecular Weight:	247.72
Molecular Formula:	C11H18ClNO3
Canonical SMILES:	CC(C)(C)OC(=O)N1CCCC1C(=O)CCl
InChI:	InChI=1S/C11H18ClNO3/c1-11(2,3)16-10(15)13-6-4-5-8(13)9(14)7-12/h8H,4-7H2,1-3H3
InChI Key:	FXJFCSOQVPPIHK-UHFFFAOYSA-N
LogP:	2.13170

Publication Number	Title	Priority Date
CN-106661017-B	Two rings or tricyclic heterocyclic compound	20140423
EP-3135674-A1	Novel bicyclic or tricyclic heterocyclic compound	20140423
US-10065972-B2	Bicyclic or tricyclic heterocyclic compound	20140423
US-2016376289-A1	Novel bicyclic or tricyclic heterocyclic compound	20140423
EP-3683222-A1	Novel bicyclic or tricyclic heterocyclic compound	20140423

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Related Functional Groups

Pyrrolidines

[18471-41-5]
3-Amino-1-phenylpyrrolidine
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[1627185-88-9]
tert-Butyl ((3S,4S)-4-methoxypyrrolidin-3-yl)carbamate
[1228070-72-1]
(Racemic trans)-1-tert-butyl 3-methyl 4-(2-Chloro-5-methylpyridin-3-yl)pyrrolidine-1,3-dicarboxylate
[2006277-06-9]
1-(5-Bromopentyl)pyrrolidine Hydrobromide

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.0975211
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	247.0975211
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.6 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2