(R)-6-(Benzyloxy)-8-(oxiran-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one - CAS 869478-12-6
Catalog: |
BB038132 |
Product Name: |
(R)-6-(Benzyloxy)-8-(oxiran-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one |
CAS: |
869478-12-6 |
Synonyms: |
8-[(2R)-2-oxiranyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one; 8-[(2R)-oxiran-2-yl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one |
IUPAC Name: | 8-[(2R)-oxiran-2-yl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one |
Description: | (R)-6-(Benzyloxy)-8-(oxiran-2-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS# 869478-12-6) is an intermediate in the synthesis of Olodaterol (O262000), a novel inhaled β2-adrenoceptor agonist with a 24h bronchodilatory efficacy. |
Molecular Weight: | 297.31 |
Molecular Formula: | C17H15NO4 |
Canonical SMILES: | C1C(O1)C2=CC(=CC3=C2OCC(=O)N3)OCC4=CC=CC=C4 |
InChI: | InChI=1S/C17H15NO4/c19-16-10-22-17-13(15-9-21-15)6-12(7-14(17)18-16)20-8-11-4-2-1-3-5-11/h1-7,15H,8-10H2,(H,18,19)/t15-/m0/s1 |
InChI Key: | QKZJSZZMIRDNNQ-HNNXBMFYSA-N |
LogP: | 2.80580 |
Publication Number | Title | Priority Date |
CN-112592323-A | Process for preparing odaterol and salts thereof | 20200611 |
EP-3558954-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 |
JP-2020502077-A | R-6-hydroxy-8- [1-hydroxy-2- [2- (4-methoxyphenyl) -1,1-dimethylethylaminoethyl] -2H-1,4-benzoxazin-3 (4H) -one Improved process for producing hydrochloride | 20161220 |
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 |
Complexity: | 410 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.10010796 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 60.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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