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Methyl 1-Benzhydryl-3-hydroxyazetidine-3-carboxylate

Methyl 1-Benzhydryl-3-hydroxyazetidine-3-carboxylate - CAS 950691-63-1

Catalog:	BB041606
Product Name:	Methyl 1-Benzhydryl-3-hydroxyazetidine-3-carboxylate
CAS:	950691-63-1
Synonyms:	1-(diphenylmethyl)-3-hydroxy-3-azetidinecarboxylic acid methyl ester; methyl 1-benzhydryl-3-hydroxyazetidine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1-benzhydryl-3-hydroxyazetidine-3-carboxylate
Description:	Methyl 1-Benzhydryl-3-hydroxyazetidine-3-carboxylate (CAS# 950691-63-1 ) is a useful research chemical.
Molecular Weight:	297.35
Molecular Formula:	C18H19NO3
Canonical SMILES:	COC(=O)C1(CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI:	InChI=1S/C18H19NO3/c1-22-17(20)18(21)12-19(13-18)16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16,21H,12-13H2,1H3
InChI Key:	YJUZLNDEYLMQPZ-UHFFFAOYSA-N

Publication Number	Title	Priority Date
BR-122017023050-A2	methods of preparing trifluoromethyl alcohols as rorgamat modulators	20141030
EA-033699-B1	TRIFFORMAL ALCOHOLS AS RORÎ³t MODULATORS	20141030
EP-3212643-B1	Trifluoromethyl alcohols as modulators of ror-gamma-t	20141030
EP-3354651-A1	Trifluoromethyl alcohols as modulators of ror-gamma-t	20141030
JP-2018500287-A	Trifluoromethyl alcohol as a modulator of RorÎ³t	20141030

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	362
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	297.13649347
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	297.13649347
Rotatable Bond Count:	5
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3