2-Adamantanone - ≥98% , CAS No.700-58-3

CAS: 700-58-3 Cat. No.: A107048 Formula: C₁₀H₁₄O Peso molecolare: 150.22 Beilstein Registry Number: 1210235 Numero EC: 211-847-2

GRADE & PURITY ≥98%

Synonyms

2-Adamantone | STK325358 | 2-adamantanon | Q27093191 | tricyclo[3.3.1.1~3,7~]decan-2-one | EN300-16796 | HY-Y0421 | Z56782489 | AKOS001086414 | BRN 1210235 | SCHEMBL14094609 | STR01057 | DTXSID9022108 | AC7531 | AI3-34003 | Tricyclo[3.3.1.13,7]decanone |

Storage

Room temperature

Shipped In

Normal

Panoramica

2-Adamantanone on deprotonation in the gas phase affords the corresponding β-enolate anion. It reacts with 1,1-dilithio-1-sila-2,3,4,5-tetraphenylsilole to yield 5-silafulvene.

It was used in the synthesis of dispiro N-Boc-protected 1,2,4-trioxane and (+/-)-1-(adamantan-2-yl)-2-propanamine.

Specifications

Sinonimi

2-Adamantone | STK325358 | 2-adamantanon | Q27093191 | tricyclo[3.3.1.1~3,7~]decan-2-one | EN300-16796 | HY-Y0421 | Z56782489 | AKOS001086414 | BRN 1210235 | SCHEMBL14094609 | STR01057 | DTXSID9022108 | AC7531 | AI3-34003 | Tricyclo[3.3.1.13,7]decanone |

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488183628

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183628

Sorrisi canonici

C1C2CC3CC1CC(C2)C3=O

IUPAC Name

adamantan-2-one

InChIKey

IYKFYARMMIESOX-UHFFFAOYSA-N

INCHI

1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2

Isomeri SMILES

C1C2CC3CC1CC(C2)C3=O

WGK Germania

2

RTECS

AU5018000

Peso molecolare

150.22

Beilstein

1210235

Reaxy-Rn

1210235

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210235&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Adamantanones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones
• Direct Parent: Adamantanones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Adamantanone - Organic oxide - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as adamantanones. These are organic compounds containing a ketone group is attached to the adamantane (tricyclo[3.3.1.1]decane) ring.
• External Descriptors: a small molecule

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in methanol is almost transparent.
• Punto di fusione (°C): 256-258°C
• Peso molecolare: 150.220 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 150.104 Da
• Monoisotopic Mass: 150.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 177.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 700-58-3, the molecular formula is C10H14O, and the molecular weight is 150.22 g/mol. InChIKey IYKFYARMMIESOX-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.