Methyl 2-Methylbenzoxazole-6-carboxylate - CAS 136663-23-5

Catalog:	BB008390
Product Name:	Methyl 2-Methylbenzoxazole-6-carboxylate
CAS:	136663-23-5
Synonyms:	2-methyl-1,3-benzoxazole-6-carboxylic acid methyl ester; methyl 2-methyl-1,3-benzoxazole-6-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-methyl-1,3-benzoxazole-6-carboxylate
Description:	Methyl 2-Methylbenzoxazole-6-carboxylate (CAS# 136663-23-5) is a reactant that is useful for the synthesis of SB-334867 (I) analogs. SB-334867 is an orexin antagonist.
Molecular Weight:	191.18
Molecular Formula:	C10H9NO3
Canonical SMILES:	CC1=NC2=C(O1)C=C(C=C2)C(=O)OC
InChI:	InChI=1S/C10H9NO3/c1-6-11-8-4-3-7(10(12)13-2)5-9(8)14-6/h3-5H,1-2H3
InChI Key:	CIGMBXJEQUHKPR-UHFFFAOYSA-N
MDL:	MFCD00113064
LogP:	1.92280

Publication Number	Title	Priority Date
AU-2015362790-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
CA-2971413-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
EP-3233087-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
EP-3233087-B1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
EP-3623371-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.058243149
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.058243149
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2