(1S,2R)-(+)-2-Amino-1,2-diphenylethanol - ≥99% , CAS No.23364-44-5

CAS: 23364-44-5 Cat. No.: A119334 Molecular Weight: 213.28 Beilstein Registry Number: 1212830 EC Number: 628-513-0

GRADE & PURITY ≥99%

Synonyms

DTXSID20352134 | InChI=1/C14H15NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2/t13-,14+/m1/s1 | GEJJWYZZKKKSEV-KGLIPLIRSA-N | MFCD00074959 | (1S,2R)-2-amino-1,2-di(phenyl)ethanol | Benzeneethanol, beta-amino-alpha-phenyl-, (alphaS,be

Storage

Room temperature

Shipped In

Normal

Overview

(1S,2R)-(+)-2-Amino-1,2-diphenylethanol can be used:

· To prepare vanadium(V) Schiff base complexes, which are used as catalysts in the oxidation of sulfides and olefins. 

· To prepare chiral selectors, which are immobilized on aminated silica gel, applicable as chiral stationary phase in HPLC. 

· To immobilize on the frame of α-zirconium phosphate to yield layered zirconium phosphonates, which are used in the heterogeneous catalysis. 

· As a chiral auxiliary in the preparation of homopropargylic alcohols from aliphatic and aromatic aldehydes.

Specifications

Synonyms

DTXSID20352134 | InChI=1/C14H15NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10, 13-14, 16H, 15H2/t13-, 14+/m1/s1 | GEJJWYZZKKKSEV-KGLIPLIRSA-N | MFCD00074959 | (1S, 2R)-2-amino-1, 2-di(phenyl)ethanol | Benzeneethanol, beta-amino-alpha-phenyl-, (alphaS, be

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488191237
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191237
• Canonical Smiles: C1=CC=C(C=C1)C(C(C2=CC=CC=C2)O)N
• IUPAC Name: (1S,2R)-2-amino-1,2-diphenylethanol
• InChIKey: GEJJWYZZKKKSEV-KGLIPLIRSA-N
• INCHI: 1S/C14H15NO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2/t13-,14+/m1/s1
• Isomeric SMILES: C1=CC=C(C=C1)[C@H]([C@H](C2=CC=CC=C2)O)N
• WGK Germany: 3
• Molecular Weight: 213.28
• Beilstein: 1212830
• Reaxy-Rn: 1212827
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1212827&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Aralkylamines Benzene and substituted derivatives Secondary alcohols 1,2-aminoalcohols Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - 1,2-aminoalcohol - Organic oxygen compound - Alcohol - Aromatic alcohol - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Acinetobacter baumannii (41033 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Specific Rotation[α]: 7° (C=0.6,EtOH)
• Melt Point(°C): 142-144°C
• Molecular Weight: 213.270 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 213.115 Da
• Monoisotopic Mass: 213.115 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 195.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1