α-[[[2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)benzenemethanol - CAS 43229-67-0
Catalog: |
BB060086 |
Product Name: |
α-[[[2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)benzenemethanol |
CAS: |
43229-67-0 |
Synonyms: |
2-[benzyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(3-nitro-4-phenylmethoxyphenyl)ethanol; alpha-[[[2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)benzenem; alpha-[[[2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)benzenemethanol; 2-[Benzyl(alpha-methyl-4-methoxyphenethyl)amino]-1-[4-(benzyloxy)-3-nitrophenyl]ethanol; 4-Benzyloxy-3-nitro-alpha-[N-benzyl-N-(1-methyl-2-p-methoxyphenylethyl)aminomethyl] benzyl alcohol |
IUPAC Name: | 2-[benzyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(3-nitro-4-phenylmethoxyphenyl)ethanol |
Description: | α-[[[2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]methyl]-3-nitro-4-(phenylmethoxy)benzenemethanol is an intermediate in the synthesis of Formoterol Fumarate (F693401). |
Molecular Weight: | 526.62 |
Molecular Formula: | C32H34N2O5 |
Canonical SMILES: | CC(CC1=CC=C(C=C1)OC)N(CC2=CC=CC=C2)CC(C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])O |
InChI: | InChI=1S/C32H34N2O5/c1-24(19-25-13-16-29(38-2)17-14-25)33(21-26-9-5-3-6-10-26)22-31(35)28-15-18-32(30(20-28)34(36)37)39-23-27-11-7-4-8-12-27/h3-18,20,24,31,35H,19,21-23H2,1-2H3 |
InChI Key: | STIBLONETZHESW-UHFFFAOYSA-N |
Solubility: | Chloroform (Slightly), Methanol (Slightly, Sonicated) |
Appearance: | Dark Orange Thick Oil |
Storage: | -20°C Freezer |
Complexity: | 697 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 526.24677219 |
Formal Charge: | 0 |
Heavy Atom Count: | 39 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 526.24677219 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 87.8Ų |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.3 |
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