1,3-dimetiladamantano - ≥99%(GC) , CAS No.702-79-4

CAS: 702-79-4 Cat. No.: D155458 Formula: C₁₂H₂₀ Peso molecolare: 164.29 Numero EC: 211-870-8

GRADE & PURITY ≥99%(GC)

Synonyms

1-3-Dimethyladamantane | EN300-103625 | 1,3-dimethyAdamantane | AKOS025211682 | Memantine intermediate | 1,3-DIMETHYLADAMANTANE | DTXSID1049439 | A836824 | Adamantane,1,3-dimethyl- (6CI,8CI) | 1,5-Dimethyladamantane | 1,3-dimethyl adamantane | Tricyclo[3.

Storage

Room temperature

Shipped In

Normale

Panoramica

l'1,3-dimetiladamantano subisce una reazione di inserzione C-H con il fenilclorocarbene[1]. Reagisce con l'ossigeno molecolare in presenza di N-idrossiftalimmide combinata con sali di cobalto per produrre 3,5-dimetiladamantano-1-olo e 5,7-dimetiladamantano-1,3-diolo[2].
l'1,3-dimetiladamantano è stato utilizzato per la sintesi dell'1,3-dibromo-5,7-dimetiladamantano.

Specifications

Sinonimi

1-3-Dimethyladamantane | EN300-103625 | 1,3-dimethyAdamantane | AKOS025211682 | Memantine intermediate | 1,3-DIMETHYLADAMANTANE | DTXSID1049439 | A836824 | Adamantane,1,3-dimethyl- (6CI,8CI) | 1,5-Dimethyladamantane | 1,3-dimethyl adamantane | Tricyclo[3.

Specifiche e purezza

≥99%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥99%(GC)

Nomi e identificatori

• Pubchem Sid: 488181742
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181742
• Sorrisi canonici: CC12CC3CC(C1)CC(C3)(C2)C
• IUPAC Name: 1,3-dimethyladamantane
• InChIKey: CWNOIUTVJRWADX-UHFFFAOYSA-N
• INCHI: 1S/C12H20/c1-11-4-9-3-10(5-11)7-12(2,6-9)8-11/h9-10H,3-8H2,1-2H3
• Isomeri SMILES: CC12CC3CC(C1)CC(C3)(C2)C
• WGK Germania: 3
• Numero UN: 3295
• Gruppo di imballaggio: III
• Peso molecolare: 164.29
• Reaxy-Rn: 1849176
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1849176&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Classe Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Classe: Polycyclic hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polycyclic hydrocarbons
• Alternative Parents: Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Polycyclic hydrocarbon - Saturated hydrocarbon - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
• External Descriptors: adamantanes - polycyclic alkane

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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.478
• Punto di infiammabilità (°F): 127.4 °F
• Punto di infiammabilità (°C): 53 °C
• Punto di ebollizione (°C): 201°C
• Peso molecolare: 164.290 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 164.157 Da
• Monoisotopic Mass: 164.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 182.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Riferimenti

1. Lu Zhao, Dengfeng Ye, Yongsheng Guo, Wenjun Fang.  (2019)  Density and Viscosity of Ternary Mixture of Cyclopentanol + exo-Tetrahydrodicyclopentadiene + 1,3-Dimethyladamantane.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.9b00074]