(R)-2-((4-Aminophenethyl)amino)-1-phenylethanol Hydrochloride - CAS 521284-22-0
Catalog: |
BB054963 |
Product Name: |
(R)-2-((4-Aminophenethyl)amino)-1-phenylethanol Hydrochloride |
CAS: |
521284-22-0 |
Synonyms: |
(αR)-[[[2-(4-Aminophenyl)ethyl]amino]methyl]-benzenemethanol Monohydrochloride |
IUPAC Name: | (1R)-2-[2-(4-aminophenyl)ethylamino]-1-phenylethanolhydrochloride |
Description: | (R)-2-((4-Aminophenethyl)amino)-1-phenylethanol is an intermediate used to prepare (aminothiazolyl)acetanilide derivatives via coupling reactions for treatment of diabetes. |
Molecular Weight: | 292.8 |
Molecular Formula: | C16H21ClN2O |
Canonical SMILES: | C1=CC=C(C=C1)C(CNCCC2=CC=C(C=C2)N)O.Cl |
InChI: | InChI=1S/C16H20N2O.ClH/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14/h1-9,16,18-19H,10-12,17H21H/t16-/m0./s1 |
InChI Key: | QILVTBCJVNFIDP-NTISSMGPSA-N |
Melting Point: | >127ºC (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Hygroscopic |
References: | Kawazoe, S., et al. PCT Int. Appl., WO 2003037881 A1 20030508 (2003). |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P313, P337+P317, P362+P364, P391, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113773274-A | Recrystallization method of mirabegron alpha crystal form raw material | 20210809 |
CN-113816864-A | Preparation method of (R) -2-hydroxy-N- [2- (4-aminophenyl) ethyl ] -2-phenylethylamine | 20200618 |
KR-20210073972-A | A new process for the preparation of (R)-2-((4-Aminophenethyl)amino)-1-phenylethanol | 20191211 |
KR-102350458-B1 | A new process for the preparation of (R)-2-((4-Aminophenethyl)amino)-1-phenylethanol | 20191211 |
JP-2018100221-A | Method for producing organic compound substantially free of Pd and novel method for removing Pd from organic compound using hydrogen gas | 20150417 |
WO-2016167361-A1 | METHOD FOR PRODUCING ORGANIC COMPOUND SUBSTANTIALLY FREE OF Pd, AND NOVEL METHOD FOR REMOVING Pd FROM ORGANIC COMPOUND USING HYDROGEN GAS | 20150417 |
EP-3253741-A1 | Process for preparation of polymorphic form of mirabegron | 20150202 |
JP-2018508497-A | Preparation method of polymorphic form of mirabegron | 20150202 |
US-2018016246-A1 | Process for preparation of polymorphic form of mirabegron | 20150202 |
US-9981927-B2 | Process for preparation of polymorphic form of Mirabegron | 20150202 |
PMID | Publication Date | Title | Journal |
22269146 | 20120401 | Absorption, metabolism and excretion of [(14)C]mirabegron (YM178), a potent and selective β(3)-adrenoceptor agonist, after oral administration to healthy male volunteers | Drug metabolism and disposition: the biological fate of chemicals |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.134241 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.134241 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 58.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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