cis-1,2-Cyclohexanedimethanol - ≥97% , CAS No.15753-50-1

CAS: 15753-50-1 Cat. No.: I133239 Fórmula: C₈H₁₆O₂ Peso molecular: 144.21 Beilstein Registry Number: 6(4)5234 Número CE: 239-843-6

GRADE & PURITY ≥97%

Synonyms

(1R,2S)-cyclohexane-1,2-diyldimethanol | cis-1,2-Bis(hydroxymethyl)cyclohexane | SCHEMBL129425 | (1R,2S)-rel-1,2-Cyclohexanedimethanol | MFCD00062987 | [(1S,2R)-2-(hydroxymethyl)cyclohexyl]methanol | AS-63909 | 1,2-Cyclohexanedimethanol, cis- | cis-1,2-Cy

Storage

Room temperature

Shipped In

Normal

Visão geral

Enantioselective oxidation of cis-1,2-cyclohexanedimethanol using 4-acetylamino-2,2,7-trimethyl-10-isopropyl-1-azaspiro[5.5]undecane N-oxyl as a chiral nitroxyl radical via non-electrochemical method has been reported.
It was used in the synthesis of 9-{[(Z)-2(hydroxymethyl)cyclohexyl]methyl}guanine

Specifications

Sinónimos

(1R,2S)-cyclohexane-1,2-diyldimethanol | cis-1,2-Bis(hydroxymethyl)cyclohexane | SCHEMBL129425 | (1R,2S)-rel-1,2-Cyclohexanedimethanol | MFCD00062987 | [(1S,2R)-2-(hydroxymethyl)cyclohexyl]methanol | AS-63909 | 1,2-Cyclohexanedimethanol, cis- | cis-1,2-Cy

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504760845
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760845
• Sorrisos canónicos: C1CCC(C(C1)CO)CO
• IUPAC Name: [(1S,2R)-2-(hydroxymethyl)cyclohexyl]methanol
• InChIKey: XDODWINGEHBYRT-OCAPTIKFSA-N
• INCHI: 1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8+
• SMILES isoméricas: C1CC[C@H]([C@H](C1)CO)CO
• Peso molecular: 144.21
• Beilstein: 6(4)5234
• Reaxy-Rn: 2071381
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2071381&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• 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

Propriedades químicas e físicas

• Ponto de ebulição (°C): 112 °C/0.6 mmHg
• Ponto de fusão (°C): 40 °C
• Peso molecular: 144.210 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 144.115 Da
• Monoisotopic Mass: 144.115 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 81.300
• 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