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Ethyl N-Boc-2,5-dihydropyrrole-3-carboxylate

Ethyl N-Boc-2,5-dihydropyrrole-3-carboxylate - CAS 146257-00-3

Catalog:	BB010064
Product Name:	Ethyl N-Boc-2,5-dihydropyrrole-3-carboxylate
CAS:	146257-00-3
Synonyms:	2,5-dihydropyrrole-1,3-dicarboxylic acid O1-tert-butyl ester O3-ethyl ester; 1-O-tert-butyl 3-O-ethyl 2,5-dihydropyrrole-1,3-dicarboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-O-tert-butyl 3-O-ethyl 2,5-dihydropyrrole-1,3-dicarboxylate
Description:	Ethyl N-Boc-2,5-dihydropyrrole-3-carboxylate (CAS# 146257-00-3) is a useful research chemical.
Molecular Weight:	241.28
Molecular Formula:	C12H19NO4
Canonical SMILES:	CCOC(=O)C1=CCN(C1)C(=O)OC(C)(C)C
InChI:	InChI=1S/C12H19NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h6H,5,7-8H2,1-4H3
InChI Key:	HOOXYTICVUYNKS-UHFFFAOYSA-N
LogP:	1.66450

Publication Number	Title	Priority Date
CN-105732459-A	Pyrrole amide compounds, preparation method and applications thereof	20141229
EP-3241823-A1	Pyrrole amide compound, preparation method therefor, and use thereof	20141229
EP-3241823-B1	Pyrrole amide compound, preparation method therefor, and use thereof	20141229
US-10266489-B2	Pyrrolic amide compound and preparation method and application thereof	20141229
US-2017298016-A1	Pyrrolic amide compound and preparation method and application thereof	20141229

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Related Functional Groups

Carbonyl Compounds

[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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[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
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	341
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.13140809
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.13140809
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3