(S)-ビノール - ≥99% , CAS No.18531-99-2

CAS: 18531-99-2 Cat. No.: B100620 分子式: C₂₀H₁₄O₂ 分子量: 286.32 Beilstein Registry Number: 4296068 EC番号: 606-050-5

GRADE & PURITY ≥99%

Synonyms

(S)-BINOL | (+/-)-1,1'-Binaphthalene-2,2'-diol | 1-(2-hydroxy-1-naphthalenyl)-2-naphthalenol | (1r)-[1,1'-binaphthalene]-2,2'-diol | (S)-(-)-1,1'-Bi(2-naphthol) | [1,1']Binaphthalenyl-2,2'-diol | AI3-19388 | Binol (R)-(+)-form [MI] | (R)-(+)-1,1'-Bi(2-nap

Storage

2～8℃で保存

Shipped In

濡れた氷

概要

(S)-BINOL配位子とチタン(IV)イソプロポキシドとの組み合わせは、(S)-(-)-BINOL-Ti錯体を形成し、この錯体は次のような不斉触媒として有効である：活性化されていないケトンへのアルキニル亜鉛の不斉付加反応 ? メソ-スチルベンオキシドおよびシクロヘキセンオキシドとアニリンとのエナンチオ選択的開環反応 ?また、ジルコニウム(IV)イソプロポキシドイソプロパノール錯体と反応させて、アリルトリブチルスズによるアルデヒドの容易なエナンチオ選択的アリル化のためのキラルルイス酸触媒を形成することができる。アリルアルコールからアリルアミンへの変換に使用されるホスホルアミダイト触媒の前駆体。

Specifications

同義語

(S)-BINOL | (+/-)-1,1'-Binaphthalene-2,2'-diol | 1-(2-hydroxy-1-naphthalenyl)-2-naphthalenol | (1r)-[1,1'-binaphthalene]-2,2'-diol | (S)-(-)-1,1'-Bi(2-naphthol) | [1,1']Binaphthalenyl-2,2'-diol | AI3-19388 | Binol (R)-(+)-form [MI] | (R)-(+)-1,1'-Bi(2-nap

仕様と純度

≥99%

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥99%

名前と識別子

パブケム・シド

508811088

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508811088

カノニカル・スマイル

C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O

IUPAC Name

1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

InChIKey

PPTXVXKCQZKFBN-UHFFFAOYSA-N

INCHI

1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H

異性体SMILES

C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)O)O

WGKドイツ

3

RTECS

DU3106100

UN番号

2811

分子量

286.32

Beilstein

4296068

Reaxy-Rn

997518

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=997518&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• External Descriptors: Not available

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Insoluble in water; Soluble in Ethanol,Tetrahydrofuran; Slightly soluble in Toluene
• 比旋光度［α］: -36 ° (C=1, THF)
• 融点（°C）: 205-211°C
• 分子量: 286.300 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 286.099 Da
• Monoisotopic Mass: 286.099 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 346.000
• 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