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

CAS: 7785-70-8 Cat. No.: P124468 分子式: C₁₀H₁₆ 分子量: 136.24 Beilstein Registry Number: 2038653 EC番号: 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

概要

(+)-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

同義語

(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

仕様と純度

≥99%

保管条件

Store at 2-8°C

入荷

Wet ice,FedEx DG Service

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥99%

名前と識別子

パブケム・シド

508806374

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

UN番号

2368

分子量

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
    • 分類 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: 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
• 説明: 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

関連ターゲット（人間）

U373 MG (658 Activities)

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MAPK13 Tchem MAP kinase p38 (1586 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Ether, Alcohols, Chloroform. Not miscible in water.
• 屈折率: 1.47
• 比旋光度［α］: +42.0 to +46.0 deg-C(neat)
• 引火点（°F）: 89°F
• 引火点（°C）: 32°C
• 沸点（°C）: 154-156°C
• 融点（°C）: -62°C
• 分子量: 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