3-Ethyl-4-methyl-3-pyrrolin-2-one - CAS 766-36-9

Catalog:	BB035646
Product Name:	3-Ethyl-4-methyl-3-pyrrolin-2-one
CAS:	766-36-9
Synonyms:	4-ethyl-3-methyl-1,2-dihydropyrrol-5-one

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Computed Properties

IUPAC Name:	4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
Description:	3-Ethyl-4-methyl-3-pyrrolin-2-one (CAS# 766-36-9) is an heterocyclic building block that can used for the preparation of Glimepiride (G410150), and its intermediates, used as antidiabetic agents.
Molecular Weight:	125.17
Molecular Formula:	C7H11NO
Canonical SMILES:	CCC1=C(CNC1=O)C
InChI:	InChI=1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
InChI Key:	YCTNTSVMJWIYTQ-UHFFFAOYSA-N
Boiling Point:	279 °C at 760 mmHg
Purity:	> 99 %
Density:	0.977 g/cm³
Appearance:	White powder
MDL:	MFCD00173861
LogP:	1.17150

Publication Number	Title	Priority Date
CN-109867618-A	The preparation method of glimepiride intermediate sulfonamide analog 1 and sulfonamide analog 2	20190417
CN-109896987-A	The preparation method of Glimepiride EP impurity D and EP impurity I	20190417
CN-108754663-B	High-speed spinning nylon 6 slice and preparation method thereof	20180606
CN-108383768-A	A kind of Glimepiride bulk drug synthesis technology	20180413
CN-107935903-A	The preparation method of hypoglycemic drug Glimepiride	20180127

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Related Functional Groups

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Pyrrolines

[5264-35-7]
2-Methoxy-1-pyrroline
[31970-04-4]
Benzyl 3-pyrroline-1-carboxylate
[59480-92-1]
2,5-Dimethyl-3-pyrroline, mixture of cis and trans
[766-36-9]
3-Ethyl-4-methyl-3-pyrrolin-2-one

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GHS Hazard Statement:	H302 (66.67%): 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

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.084063974
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4