2-(Benzyl(1-(4-methoxyphenyl)propan-2-yl)amino)-1-(4-(benzyloxy)-3-nitrophenyl)ethanone - CAS 43229-66-9
Catalog: |
BB073609 |
Product Name: |
2-(Benzyl(1-(4-methoxyphenyl)propan-2-yl)amino)-1-(4-(benzyloxy)-3-nitrophenyl)ethanone |
CAS: |
43229-66-9 |
Synonyms: |
2-[[2-(4-Methoxyphenyl)-1-methylethyl](phenylmethyl)amino]-1-[3-nitro-4-(phenylmethoxy)phenyl]ethanone |
IUPAC Name: | 2-[benzyl-[1-(4-methoxyphenyl)propan-2-yl]amino]-1-(3-nitro-4-phenylmethoxyphenyl)ethanone |
Description: | 2-(Benzyl(1-(4-methoxyphenyl)propan-2-yl)amino)-1-(4-(benzyloxy)-3-nitrophenyl)ethanone is used in the preparation of 3-acylamino-4-hydroxy-a-(N-substituted aminomethyl)benzyl alcohol derivatives as b-adrenoreceptor stimulants. |
Molecular Weight: | 524.61 |
Molecular Formula: | C32H32N2O5 |
Canonical SMILES: | CC(CC1=CC=C(C=C1)OC)N(CC2=CC=CC=C2)CC(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-] |
InChI: | InChI=1S/C32H32N2O5/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/h3-18,20,24H,19,21-23H2,1-2H3 |
InChI Key: | GYWPAIAUFMGISM-UHFFFAOYSA-N |
Melting Point: | 98-100°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Inert atmosphere |
References: | Murase, K., et. al. Chem. Pharmaceut. Bull., 25, 1368 (1977). |
GHS Hazard Statement: | H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P203, P260, P261, P264, P270, P271, P280, P304+P340, P308+P316, P317, P318, P319, P321, P405, and P501 |
Signal Word: | Danger |
Complexity: | 737 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 524.23112213 |
Formal Charge: | 0 |
Heavy Atom Count: | 39 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 524.23112213 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 84.6Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.8 |
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