2-Bromo-4'-benzyloxy-3'-nitroacetophenone - CAS 43229-01-2
Catalog: |
BB025371 |
Product Name: |
2-Bromo-4'-benzyloxy-3'-nitroacetophenone |
CAS: |
43229-01-2 |
Synonyms: |
2-bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethanone; 2-bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethanone |
IUPAC Name: | 2-bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethanone |
Description: | 2-Bromo-4'-benzyloxy-3'-nitroacetophenone (CAS# 43229-01-2) is a derivative of Arformoterol, a long acting beta-adrenoceptor agonist drug indicated for the treatment of chronic obstructive pulmonary disease (COPD). |
Molecular Weight: | 350.16 |
Molecular Formula: | C15H12BrNO4 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)CBr)[N+](=O)[O-] |
InChI: | InChI=1S/C15H12BrNO4/c16-9-14(18)12-6-7-15(13(8-12)17(19)20)21-10-11-4-2-1-3-5-11/h1-8H,9-10H2 |
InChI Key: | PBAAKBQGBSUCTG-UHFFFAOYSA-N |
Boiling Point: | 465.2 ℃ at 760 mmHg |
Density: | 1.517 g/cm3 |
MDL: | MFCD06797599 |
LogP: | 4.27460 |
GHS Hazard Statement: | H315 (33.33%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P270, P273, P280, P302+P352, P305+P351+P338, P307+P311, P321, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112279776-A | Method for synthesizing arformoterol free alkali | 20201102 |
CN-111944855-A | Method for synthesizing (S) -1- (4- (benzyloxy) -3-nitrophenyl) -2-bromoethanol | 20200903 |
CN-110627673-A | Preparation method of formoterol key intermediate | 20180622 |
EP-3556435-A1 | Class of bifunctional compounds with quaternary ammonium salt structure | 20161214 |
EP-3556435-B1 | Class of bifunctional compounds with quaternary ammonium salt structure | 20161214 |
Complexity: | 365 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 348.99497 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 348.99497 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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