1-Methylcyclopentanol - ≥99% , CAS No.1462-03-9

CAS: 1462-03-9 Cat. No.: M101087 Fórmula: C₆H₁₂O Peso molecular: 100.16 Beilstein Registry Number: 6,8 Número CE: 215-963-4

GRAU & PUREZA ≥99%

Synonyms

NSC 23230 | AKOS009157240 | 1-Methylcyclopentanol | 1-methyl-cyclopentanol | EINECS 215-963-4 | SCHEMBL304734 | EN300-68930 | delta-Decanolactone | UNII-4SN9EJN64M | M0729 | DTXSID50163295 | 5-Hexyldihydro-2(3H)-furanone | ghl.PD_Mitscher_leg0.419 | FT-06

Storage

Room temperature

Shipped In

Normal

Visão geral

Product Application：

1-Methylcyclopentanol is used as a reagent in the synthesis of cis-2,5-dicyanopyrrolidine inhibitors of dipeptidyl peptidase IV. It is also used in the preparation of Lomifylline (L470200) which is a methylxanthine analog that induces Ca2+-release from intracellular stores via the ryanodine receptor.

Especificações

Sinónimos

NSC 23230 | AKOS009157240 | 1-Methylcyclopentanol | 1-methyl-cyclopentanol | EINECS 215-963-4 | SCHEMBL304734 | EN300-68930 | delta-Decanolactone | UNII-4SN9EJN64M | M0729 | DTXSID50163295 | 5-Hexyldihydro-2(3H)-furanone | ghl.PD_Mitscher_leg0.419 | FT-06

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

508807414

Sorrisos canónicos

CC1(CCCC1)O

IUPAC Name

1-methylcyclopentan-1-ol

InChIKey

CAKWRXVKWGUISE-UHFFFAOYSA-N

INCHI

1S/C6H12O/c1-6(7)4-2-3-5-6/h7H,2-5H2,1H3

SMILES isoméricas

CC1(CCCC1)O

WGK Alemanha

3

Número UN

1325

Peso molecular

100.16

Beilstein

6,8

Reaxy-Rn

2036183

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2036183&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Tertiary alcohols Cyclic alcohols and derivatives Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclopentanol - Tertiary alcohol - Cyclic alcohol - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol group.
• External Descriptors: Fatty alcohols

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

• Solubilidade: Chloroform, Methanol (Slightly)
• Ponto de congelamento (°C): 35 °C
• Ponto de inflamação (°F): 105.8 °F
• Ponto de inflamação (°C): 41 °C
• Ponto de ebulição (°C): 135-136°C
• Ponto de fusão (°C): 36-37°C
• Peso molecular: 100.160 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 100.089 Da
• Monoisotopic Mass: 100.089 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.600
• 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