Diethyl 3-Methylpyrrole-2,4-dicarboxylate - CAS 5448-16-8

Catalog:	BB028694
Product Name:	Diethyl 3-Methylpyrrole-2,4-dicarboxylate
CAS:	5448-16-8
Synonyms:	3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester; diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate
Description:	Diethyl 3-Methylpyrrole-2,4-dicarboxylate (CAS# 5448-16-8) is a useful research chemical.
Molecular Weight:	225.24
Molecular Formula:	C11H15NO4
Canonical SMILES:	CCOC(=O)C1=CNC(=C1C)C(=O)OCC
InChI:	InChI=1S/C11H15NO4/c1-4-15-10(13)8-6-12-9(7(8)3)11(14)16-5-2/h6,12H,4-5H2,1-3H3
InChI Key:	KJPYNVNXXUELAB-UHFFFAOYSA-N
Boiling Point:	364.7 °C at 760 mmHg
Density:	1.168 g/cm³
LogP:	1.67650

Publication Number	Title	Priority Date
WO-2021094209-A1	Substituted pyrrolo triazine carboxamide derivatives as prostaglandin ep3 receptor antagonists	20191112
EP-3293177-A1	Tyrosine kinase inhibitor and pharmaceutical composition comprising same	20150407
JP-6617155-B6	Tyrosine kinase inhibitor and pharmaceutical composition containing the same	20150407
US-10654808-B2	Tyrosine kinase inhibitor and pharmaceutical composition comprising same	20150407
US-2019119217-A1	Tyrosine kinase inhibitor and pharmaceutical composition comprising same	20150407

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.10010796
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.10010796
Rotatable Bond Count:	6
Topological Polar Surface Area:	68.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8