1-(Chloroacetyl)pyrrolidine - CAS 20266-00-6

Name: 1-(Chloroacetyl)pyrrolidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015746
Product Name:	1-(Chloroacetyl)pyrrolidine
CAS:	20266-00-6
Synonyms:	2-chloro-1-(1-pyrrolidinyl)ethanone; 2-chloro-1-pyrrolidin-1-ylethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-1-pyrrolidin-1-ylethanone
Description:	1-(Chloroacetyl)pyrrolidine acts as a useful reagent in the synthesis of celastrol derivatives with potentials as anticancer agents.
Molecular Weight:	147.60
Molecular Formula:	C6H10ClNO
Canonical SMILES:	C1CCN(C1)C(=O)CCl
InChI:	InChI=1S/C6H10ClNO/c7-5-6(9)8-3-1-2-4-8/h1-5H2
InChI Key:	AAOSLLBWWRKJIR-UHFFFAOYSA-N
Boiling Point:	252.9 °C at 760 mmHg
Density:	1.205 g/cm³
MDL:	MFCD01217237
LogP:	0.78550

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
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]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

GHS Hazard Statement:	H302 (33.33%): 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

Publication Number	Title	Priority Date
WO-2021123294-A1	Oga inhibitor compounds	20191218
WO-2021021893-A1	Compounds for use in treating neurological disorders	20190729
WO-2020249792-A1	Substituted pyrazolo-pyridine amides and their use as glun2b receptor modulators	20190614
US-2021017168-A1	Substituted pyrazolo-pyridine amides and their use as glun2b receptor modulators	20190614
WO-2020247599-A1	4-substituted pyrano[3,4,b]pyrazine kappa agonists for treating drug dependency	20190606

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.0450916
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	147.0450916
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8