Methyl 6-quinoxalinecarboxylate - CAS 23088-23-5

Catalog:	BB017918
Product Name:	Methyl 6-quinoxalinecarboxylate
CAS:	23088-23-5
Synonyms:	methyl quinoxaline-6-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl quinoxaline-6-carboxylate
Description:	Methyl 6-quinoxalinecarboxylate (CAS# 23088-23-5) is a useful research chemical.
Molecular Weight:	188.18
Molecular Formula:	C10H8N2O2
Canonical SMILES:	COC(=O)C1=CC2=NC=CN=C2C=C1
InChI:	InChI=1S/C10H8N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-6H,1H3
InChI Key:	VFPWJISMXACHIG-UHFFFAOYSA-N
Melting Point:	99 °C
Purity:	95 %
Density:	1.272 g/cm³
Solubility:	22.7 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00102618
LogP:	1.41640

Publication Number	Title	Priority Date
CN-108997229-A	1,2,3,4- tetrahydroquinoxaline -6- carboxylate methyl ester and preparation method thereof	20180830
CN-108997229-B	1,2,3, 4-tetrahydroquinoxaline-6-carboxylic acid methyl ester and preparation method thereof	20180830
KR-102070265-B1	Novel [1,2,4]Triazolo[4,3-a]quinoxaline derivatives, preparation method therof, and pharmaceutical composition for use in preventing or treating BET protein related diseases containing the same as an active ingredient	20170126
WO-2018139876-A1	Novel [1,2,4]triazolo[4, 3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating bet protein-related diseases, containing same as active ingredient	20170126
CN-105906635-A	Perfluoroalkyl benzo-azepino quinoxaline derivative and synthesis method thereof	20160608

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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
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Quinoxalines

[2379-56-8]
6-Nitro-2,3-dihydroxyquinoxaline
[2756334-24-2]
7-Bromo-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one
[2756334-26-4]
7-Bromo-8-fluoro-3-methylquinoxalin-2(1H)-one
[1628908-19-9]
5-Bromo-7-fluoroquinoxaline
[2227206-68-8]
5-Bromo-8-chloroquinoxaline
[1360599-43-4]
5-Bromo-8-methylquinoxaline

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:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.058577502
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3