3-Pyrroline - CAS 109-96-6

Catalog:	BB002575
Product Name:	3-Pyrroline
CAS:	109-96-6
Synonyms:	2,5-dihydro-1H-pyrrole

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	2,5-dihydro-1H-pyrrole
Description:	3-Pyrroline (CAS# 109-96-6) is a useful research chemical compound.
Molecular Weight:	69.11
Molecular Formula:	C4H7N
Canonical SMILES:	C1C=CCN1
InChI:	InChI=1S/C4H7N/c1-2-4-5-3-1/h1-2,5H,3-4H2
InChI Key:	JVQIKJMSUIMUDI-UHFFFAOYSA-N
Boiling Point:	90-91 °C
Melting Point:	-71 °C
Purity:	98 %
Density:	0.91 g/cm³
Appearance:	Clear colorless to light yellow liquid
Storage:	Keep Cold
MDL:	MFCD00005213
LogP:	0.47460

Publication Number	Title	Priority Date
CN-113336687-A	Method for preparing 3-pyrroline based on improved activated zinc powder	20210520
CN-113185519-A	Nucleoside compound and application thereof in treating feline infectious peritonitis	20210423
CN-113149882-A	Gem-difluoroolefin-pyrroline compound and preparation method and application thereof	20210205
CN-112657454-A	3-stirring tank for pyrroline	20201221
CN-214210504-U	3-stirring tank for pyrroline	20201221

PMID	Publication Date	Title	Journal
22858299	20120901	Synthesis of sulfur containing dihydro-pyrrolo derivatives and their biological evaluation as antioxidants	Bioorganic & medicinal chemistry
22612561	20120601	Synthesis of 1,2-disubstituted cyclopentenes by palladium-catalyzed reaction of homopropargyl-substituted dicarbonyl compounds with organic halides via 5-endo-dig cyclization	Organic letters
22437158	20120521	A highly enantioselective approach towards 2-substituted 3-bromopyrrolidines	Organic & biomolecular chemistry
22343406	20120217	3D-QSAR studies of dihydropyrazole and dihydropyrrole derivatives as inhibitors of human mitotic kinesin Eg5 based on molecular docking	Molecules (Basel, Switzerland)
22066934	20111202	Exploiting the ring strain in bicyclo[2.2.1]heptane systems for the stereoselective preparation of highly functionalized cyclopentene, dihydrofuran, pyrroline, and pyrrolidine scaffolds	Organic letters

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Related Functional Groups

Pyrrolines

[73286-70-1]
N-Boc-2,5-dihydro-1H-pyrrole
[69778-83-2]
4-Methoxy-3-pyrrolin-2-one
[10135-38-3]
3,3,5,5-Tetramethyl-1-pyrroline N-oxide
[31970-04-4]
Benzyl 3-pyrroline-1-carboxylate
[19805-75-5]
2,2,5,5-Tetramethyl-3-pyrroline-3-carboxamide
[3317-61-1]
5,5-Dimethyl-1-pyrroline N-Oxide

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GHS Hazard Statement:	H225 (97.83%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	41.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	69.057849228
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	69.057849228
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0