(R)-alpha-[[(4-Nitrophenethyl)amino]methyl]benzyl Alcohol Hydrochloride - CAS 521284-21-9
Catalog: |
BB027720 |
Product Name: |
(R)-alpha-[[(4-Nitrophenethyl)amino]methyl]benzyl Alcohol Hydrochloride |
CAS: |
521284-21-9 |
Synonyms: |
(1R)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride; (1R)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride |
IUPAC Name: | (1R)-2-[2-(4-nitrophenyl)ethylamino]-1-phenylethanol;hydrochloride |
Description: | (R)-alpha-[[(4-Nitrophenethyl)amino]methyl]benzyl Alcohol Hydrochloride (CAS# 521284-21-9) is an intermediate used to prepare (aminothiazolyl)acetanilide derivatives via coupling reactions for treatment of diabetes. |
Molecular Weight: | 322.79 |
Molecular Formula: | C16H19ClN2O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)[N+](=O)[O-])O.Cl |
InChI: | InChI=1S/C16H18N2O3.ClH/c19-16(14-4-2-1-3-5-14)12-17-11-10-13-6-8-15(9-7-13)18(20)21;/h1-9,16-17,19H,10-12H2;1H/t16-;/m0./s1 |
InChI Key: | LUAUJCGKCGBAKA-NTISSMGPSA-N |
LogP: | 4.17660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20210073972-A | A new process for the preparation of (R)-2-((4-Aminophenethyl)amino)-1-phenylethanol | 20191211 |
CN-109456277-A | A kind of preparation method of Mirabegron | 20181029 |
CN-104496841-B | Method for synthesizing mirabegron intermediate | 20141126 |
EP-3177589-A1 | Method for the synthesis of mirabegron and its derivatives | 20140806 |
EP-3177589-B1 | Method for the synthesis of mirabegron and its derivatives | 20140806 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 322.1084202 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 322.1084202 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 78.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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