(1R,2R)-1,2-Bis(2-hydroxyphenyl)ethylenediamine - ≥95%(HPLC) , CAS No.870991-70-1

CAS: 870991-70-1 Cat. No.: R468017 Molecular Weight: 244.29 EC Number: 626-172-2 PubChem CID: 16218403

GRADE & PURITY ≥95%(HPLC)

Synonyms

2-[(1R,2R)-1,2-DIAMINO-2-(2-HYDROXYPHENYL)ETHYL]PHENOL | 2,2'-((1R,2R)-1,2-Diaminoethane-1,2-diyl)diphenol | AS-39237 | (1R,2R)-1,2-Bis(2-hydroxyphenyl)ethane-1,2-diamine | Phenol, 2,2'-[(1R,2R)-1,2-diamino-1,2-ethanediyl]bis- | (1R,2R)-1,2-Bis(2-hydroxyp

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

(1R, 2R)-1,2-Bis(2-hydroxyphenyl)ethylenediamine or (R, R)-1,2-bis(2-hydroxyphenyl)-1,2-diaminoethane (HPEN) is commonly used in the stereoselective synthesis of enantiopure compounds.(1R, 2R)-1,2-Bis(2-hydroxyphenyl)ethylenediamine can be used as a precursor for the synthesis of:Enantiomerically puretrans-3-arylpiperazine-2-carboxylic acid derivatives via diaza-Cope rearrangement (DCR).4,4′-(1,2-Diazaniumylethane-1,2-diyl)dibenzoate trihydrate by treating with terephthalaldehydic acid.

Specifications

Synonyms

2-[(1R, 2R)-1, 2-DIAMINO-2-(2-HYDROXYPHENYL)ETHYL]PHENOL | 2, 2'-((1R, 2R)-1, 2-Diaminoethane-1, 2-diyl)diphenol | AS-39237 | (1R, 2R)-1, 2-Bis(2-hydroxyphenyl)ethane-1, 2-diamine | Phenol, 2, 2'-[(1R, 2R)-1, 2-diamino-1, 2-ethanediyl]bis- | (1R, 2R)-1, 2-Bis(2-hydroxyp

Specifications & Purity

≥95%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 504768340
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768340
• Canonical Smiles: C1=CC=C(C(=C1)C(C(C2=CC=CC=C2O)N)N)O
• IUPAC Name: 2-[(1R,2R)-1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol
• InChIKey: MRNPLGLZBUDMRE-ZIAGYGMSSA-N
• INCHI: 1S/C14H16N2O2/c15-13(9-5-1-3-7-11(9)17)14(16)10-6-2-4-8-12(10)18/h1-8,13-14,17-18H,15-16H2/t13-,14-/m1/s1
• Isomeric SMILES: C1=CC=C(C(=C1)[C@H]([C@@H](C2=CC=CC=C2O)N)N)O
• WGK Germany: 3
• PubChem CID: 16218403
• Molecular Weight: 244.29
• Reaxy-Rn: 10354252

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 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Organopnictogen compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen 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

Chemical and Physical Properties

• Specific Rotation[α]: 66° (C=1,CHCl3)
• Melt Point(°C): 158 °C(dec.)
• Molecular Weight: 244.290 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 244.121 Da
• Monoisotopic Mass: 244.121 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 236.000
• 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