(R)-2-Oxiranylanisole - ≥97% , CAS No.71031-02-2

CAS: 71031-02-2 Cat. No.: O123062 Molecular Weight: 150.17 EC Number: 615-241-2

GRADE & PURITY ≥97%

Synonyms

(r)-1,2-epoxy-3-phenoxypropane | (R)-2-Oxiranylanisole, >=97.0% (sum of enantiomers, GC) | (R)-Glycidyl phenyl ether | (R)-glycidylphenyl ether | (R)-(-)-3-(phenyloxy)-1,2-epoxypropane | (R)-2-Oxiranylanisole | SCHEMBL1582872 | DTXSID901308155 | (R)-2-(Ph

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

(R)-2-Oxiranylanisole is a reactant in synthesizing Piperidinol analogs for studies of anti-tuberculosis activity.
A reactant in synthesizing Piperidinol analogs.

Specifications

Synonyms

(r)-1, 2-epoxy-3-phenoxypropane | (R)-2-Oxiranylanisole, >=97.0% (sum of enantiomers, GC) | (R)-Glycidyl phenyl ether | (R)-glycidylphenyl ether | (R)-(-)-3-(phenyloxy)-1, 2-epoxypropane | (R)-2-Oxiranylanisole | SCHEMBL1582872 | DTXSID901308155 | (R)-2-(Ph

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1C(O1)COC2=CC=CC=C2
• IUPAC Name: (2R)-2-(phenoxymethyl)oxirane
• InChIKey: FQYUMYWMJTYZTK-VIFPVBQESA-N
• INCHI: 1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2/t9-/m0/s1
• Isomeric SMILES: C1[C@@H](O1)COC2=CC=CC=C2
• WGK Germany: 3
• Molecular Weight: 150.17
• Reaxy-Rn: 2744
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2744&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Sensitivity: Air Sensitive
• Refractive Index: 1.53
• Specific Rotation[α]: -14° (C=1,EtOH)
• Flash Point(°F): 159.8 °F
• Flash Point(°C): 71 °C
• Molecular Weight: 150.170 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 21.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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