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

CAS: 702-79-4 Cat. No.: D155458 분자식: C₁₂H₂₀ 분자량: 164.29 EC 번호: 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

Normal

개요

1,3-Dimethyladamantane undergoes C-H insertion reaction with phenylchlorocarbene[1]. It reacts with with molecular oxygen in the presence of N-hydroxyphthalimide combined with cobalt salts to yield 3,5-dimethyladamantan-1-ol and 5,7-dimethyladamantane-1,3-diol[2].
1,3-Dimethyladamantane was used in the synthesis of 1,3-dibromo-5,7-dimethyladamantane.

Specifications

동의어

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.

사양 및 순도

≥99%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥99%(GC)

이름과 식별자

Pubchem Sid

488181742

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181742

정식 스마일

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

이성체 SMILES

CC12CC3CC(C1)CC(C3)(C2)C

WGK 독일

3

UN 번호

3295

포장 그룹

III

분자량

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
    • 분류 Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.478
• 발화점(°F): 127.4 °F
• 발화점(°C): 53 °C
• 끓는점(°C): 201°C
• 분자량: 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