Methyl 3-Ethoxythiophene-2-carboxylate - CAS 139926-22-0

Name: Methyl 3-Ethoxythiophene-2-carboxylate
Brand: BOC Sciences
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Catalog:	BB009008
Product Name:	Methyl 3-Ethoxythiophene-2-carboxylate
CAS:	139926-22-0
Synonyms:	3-ethoxy-2-thiophenecarboxylic acid methyl ester; methyl 3-ethoxythiophene-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 3-ethoxythiophene-2-carboxylate
Description:	Methyl 3-Ethoxythiophene-2-carboxylate (CAS# 139926-22-0) is a useful chemical for the preparation sulfonamides via C-H/N-H coupling of arenes and sulfonimides.
Molecular Weight:	186.23
Molecular Formula:	C8H10O3S
Canonical SMILES:	CCOC1=C(SC=C1)C(=O)OC
InChI:	InChI=1S/C8H10O3S/c1-3-11-6-4-5-12-7(6)8(9)10-2/h4-5H,3H2,1-2H3
InChI Key:	JAGLXKOXARHKBR-UHFFFAOYSA-N
Boiling Point:	271.2 °C at 760 mmHg
Density:	1.183 g/cm³
MDL:	MFCD00102116
LogP:	1.93340

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Publication Number	Title	Priority Date
AU-2018268311-A1	Pyrimidine derivatives as PGE2 receptor modulators	20170518
AU-2018269666-A1	Phenyl derivatives as PGE2 receptor modulators	20170518
BR-112019024109-A2	COMPOUND, PHARMACEUTICAL COMPOSITION, USE OF A PHARMACEUTICALLY ACCEPTABLE COMPOUND OR SALT, METHOD OF MODULATING AN IMMUNE RESPONSE IN AN INDIVIDUAL WITH A TUMOR, AND, PROPHYLAXY OR TREATMENT METHOD	20170518
CA-3060394-A1	Pyrimidine derivatives as pge2 receptor modulators	20170518
CA-3060597-A1	Phenyl derivatives as pge2 receptor modulators	20170518

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.03506535
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.03506535
Rotatable Bond Count:	4
Topological Polar Surface Area:	63.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1