(R)-6-(Benzyloxy)-8-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methyl-2-propyl]amino]ethyl]-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 869478-13-7

Name: (R)-6-(Benzyloxy)-8-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methyl-2-propyl]amino]ethyl]-2H-benzo[b][1,4]oxazin-3(4H)-one
Brand: BOC Sciences
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Catalog:	BB038133
Product Name:	(R)-6-(Benzyloxy)-8-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methyl-2-propyl]amino]ethyl]-2H-benzo[b][1,4]oxazin-3(4H)-one
CAS:	869478-13-7
Synonyms:	8-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one; 8-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one

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Computed Properties

IUPAC Name:	8-[(1R)-1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
Description:	(R)-6-(Benzyloxy)-8-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methyl-2-propyl]amino]ethyl]-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 869478-13-7) is an intermediate in the synthesis of Olodaterol (O262000), a long acting β-adrenoceptor agonist used as an inhalation for treating patients with chronic obstructive pulmonary disease (COPD).
Molecular Weight:	476.56
Molecular Formula:	C28H32N2O5
Canonical SMILES:	CC(C)(CC1=CC=C(C=C1)OC)NCC(C2=CC(=CC3=C2OCC(=O)N3)OCC4=CC=CC=C4)O
InChI:	InChI=1S/C28H32N2O5/c1-28(2,15-19-9-11-21(33-3)12-10-19)29-16-25(31)23-13-22(34-17-20-7-5-4-6-8-20)14-24-27(23)35-18-26(32)30-24/h4-14,25,29,31H,15-18H2,1-3H3,(H,30,32)
InChI Key:	DKLVIQDZNAPVFJ-UHFFFAOYSA-N
LogP:	4.77830

Publication Number	Title	Priority Date
CN-109096218-B	Oxydterol hydrochloride crystal form A and preparation method thereof	20180806
CN-108822054-B	Oxydterol hydrochloride crystal form C and preparation method thereof	20180806
US-2020062723-A1	Improved process for the manufacture of r-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2h-1,4-benzoxazin-3(4h)-one hydrochloride	20161220
WO-2018114887-A1	Improved process for the manufacture of r-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2h-1,4-benzoxazin-3(4h)-one hydrochloride	20161220
US-10800748-B2	Process for the manufacture of R-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2H-1,4-benzoxazin-3(4H)-one hydrochloride	20161220

Complexity:	660
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	476.23112213
Formal Charge:	0
Heavy Atom Count:	35
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	476.23112213
Rotatable Bond Count:	10
Topological Polar Surface Area:	89
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6

(R)-6-(Benzyloxy)-8-[1-hydroxy-2-[[1-(4-methoxyphenyl)-2-methyl-2-propyl]amino]ethyl]-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 869478-13-7

Technical Data

Patents

Computed Properties

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