Diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate

HCID 83264CAS 13250-95-8

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Basic information

Standard SMILES: CCOC(=O)C(=CNc1cccc(C)n1)C(=O)OCC
InChIKey: IAXFBMUDERBERN-UHFFFAOYSA-N
Molecular formula: C14H18N2O4
Average molar mass: 278.3 g/mol
Monoisotopic mass: 278.12665706

Names & identifiers

Preferred name: Diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate
IUPAC: diethyl 2-[[(6-methyl-2-pyridinyl)amino]methylidene]propanedioate
English name: diethyl [[(6-methyl-2-pyridyl)amino]methylene]malonate
Molecular formula: C14H18N2O4
Molecular weight: 278.3

Names & synonyms

EINECS 236-233-1DIETHYL [[(6-METHYL-2-PYRIDYL)AMINO]METHYLENE]MALONATEDiethyl (((6-methyl-2-pyridyl)amino)methylene)malonateDTXSID00157604NSC 169694RefChem:586969DTXCID9080095236-233-113250-95-8Diethyl (6-methyl-2-pyridylaminomethylene)malonatediethyl 2-[[(6-methylpyridin-2-yl)amino]methylidene]propanedioateMFCD00023437

Show more names

Diethyl {[(6-methylpyridin-2-yl)-amino]methylene}malonateDIETHYL 2-(((6-METHYL-2-PYRIDINYL)AMINO)METHYLENE)MALONATEdiethyl 2-(((6-methylpyridin-2-yl)amino)methylene)malonateDiethyl{[(6-methyl-2-pyridinyl)amino]methylene}propanedioatediethyl 2-[[(6-methyl-2-pyridyl)amino]methylene]propanedioate2-[[(6-methyl-2-pyridyl)amino]methylene]malonic acid diethyl ester2-[[(6-methyl-2-pyridyl)amino]methylene]propanedioic acid diethyl ester[[(6-Methyl-2-pyridinyl)amino]methylene]propanedioic acid diethyl ester

1,3-diethyl 2-{[(6-methylpyridin-2-yl)amino]methylidene}propanedioatePropanedioic acid, 2-[[(6-methyl-2-pyridinyl)amino]methylene]-, 1,3-diethyl esterdiethyl 2-((6-methylpyridin-2-ylamino)methylene)malonate2-[(6-Methyl-pyridin-2-ylamino)-methylene]-malonic acid diethyl esterdiethyl 2-{[(6-methyl-2-pyridinyl)amino]methylene}malonatediethyl {[(6-methylpyridin-2-yl)amino]methylidene}propanedioatepropanedioic acid, [[(6-methyl-2-pyridinyl)amino]methylene]-, diethyl esterSR-01000089342

Database identifiers

CAS: 13250-95-8
PubChem CID: 83264
DTXSID: DTXSID00157604
ChEMBL: CHEMBL3212039
EC Number: 236-233-1
Nikkaji: J213.777A

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 77.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 348

Physicochemical properties

Melting point: 105.5 · 105.5-105.7 °C
Boiling point: 357 · 357.0±42.0 °C(Predicted)
Density: 1.187 · 1.187±0.06 g/cm3(Predicted)
solubility: soluble in Chloroform
form: Solid
pka: 4.11 · 4.11±0.10(Predicted)
color: Pale Yellow to Pale Beige
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesDiethyl (6-methyl-2-pyridylaminomethylene)malonate is a useful reagent for pharmaceutical synthesis. It is used in the preparation of substituted quinoline carboxyguanidines which functions as an antidiabetic agents.