(+)-alpha-Pinene - ≥99% , CAS No.7785-70-8

CAS: 7785-70-8 Cat. No.: P124468 Fórmula: C₁₀H₁₆ Peso molecular: 136.24 Beilstein Registry Number: 2038653 Número CE: 232-087-8

GRADE & PURITY ≥99%

Synonyms

(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene | 2-PINENE, (1R,5R)-(+)- | H6CM4TWH1W | EC 232-087-8 | (R)-(+)-.ALPHA.-PINENE | HY-Y0739 | 4-Phenylthio-2-aminonitrobenzene | (R)-(+)--Pinene;(+)--Pinene; (1R)-(+)--Pinene; (1R)--Pinene; (1R,5R)-(+)--Pinene

Storage

Store at 2-8°C

Shipped In

Wet ice,FedEx DG Service

Visão geral

(+)-α-Pinene may be used as precursors to prepare primary, secondary and tertiary γ-amino alcohols and 1,3-diamines, which can be used as chiral catalysts for the addition of diethylzinc to aromatic aldehydes, resulting in chiral 1-aryl-1-propanols with high enantioselectivity.

Employed in the preparation of chiral hydroboration reagents

(+)-α-Pinene is a monoterpenoid compound mainly found in Pinus species.

Specifications

Sinónimos

(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene | 2-PINENE, (1R,5R)-(+)- | H6CM4TWH1W | EC 232-087-8 | (R)-(+)-.ALPHA.-PINENE | HY-Y0739 | 4-Phenylthio-2-aminonitrobenzene | (R)-(+)--Pinene;(+)--Pinene; (1R)-(+)--Pinene; (1R)--Pinene; (1R,5R)-(+)--Pinene

Especificações e pureza

≥99%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice,FedEx DG Service

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥99%

Nomes e identificadores

Pubchem Sid

508806374

Sorrisos canónicos

CC1=CCC2CC1C2(C)C

IUPAC Name

(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene

InChIKey

GRWFGVWFFZKLTI-RKDXNWHRSA-N

INCHI

1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3/t8-,9-/m1/s1

SMILES isoméricas

CC1=CC[C@@H]2C[C@H]1C2(C)C

WGK Alemanha

3

Número UN

2368

Peso molecular

136.24

Beilstein

2038653

Reaxy-Rn

1560714

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1560714&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Polycyclic hydrocarbons Branched unsaturated hydrocarbons Cyclic olefins Unsaturated aliphatic hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Bicyclic monoterpenoid - Branched unsaturated hydrocarbon - Polycyclic hydrocarbon - Cyclic olefin - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aliphatic homopolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• External Descriptors: Bicyclic monoterpenoids

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

Alvos associados (humanos)

U373 MG (658 Activities)

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MAPK13 Tchem MAP kinase p38 (1586 Activities)

Discover Target: MAPK13

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Alvos associados (não humanos)

Salmonella typhimurium (15756 Activities)

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Vibrio parahaemolyticus (473 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Listeria monocytogenes (2626 Activities)

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Bacillus cereus (7522 Activities)

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Mus musculus (284745 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Ether, Alcohols, Chloroform. Not miscible in water.
• Índice de refração: 1.47
• Rotação específica [α]: +42.0 to +46.0 deg-C(neat)
• Ponto de inflamação (°F): 89°F
• Ponto de inflamação (°C): 32°C
• Ponto de ebulição (°C): 154-156°C
• Ponto de fusão (°C): -62°C
• Peso molecular: 136.230 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 136.125 Da
• Monoisotopic Mass: 136.125 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 186.000
• 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