(+)-DIP-Chloride™ - ≥90%(approx.) , CAS No.112246-73-8

CAS: 112246-73-8 Cat. No.: D466977 分子式: C₂₀H₃₄BCl 分子量: 320.75 EC番号: 601-177-2

GRADE & PURITY ≥90%(approx.)

Synonyms

AC-22730 | chlorobis[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]borane | SCHEMBL4864880 | (+)-DIP-Chloride(TM), 90-105% (approx.) | PSEHHVRCDVOTID-NAVXHOJHSA-N | (+)-Ipc2BCl | (+)-B-Chlorodiisopinocampheylborane | (+)-b-chlorodiisopinocampheyl-b

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

概要

Description

Both (+)- and (-)-DIP-chloride are used for asymmetric reduction of prochiral ketones and for the preparation of β-amino alcohols.Excellent reagent for asymmetric reductions.For a short paper on the preparation of DIP halides and their use in stereoselective reductions see ACS Symp. Ser.641, 84-97 (1996).

Specifications

同義語

AC-22730 | chlorobis[(1S,2R,3S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-3-yl]borane | SCHEMBL4864880 | (+)-DIP-Chloride(TM), 90-105% (approx.) | PSEHHVRCDVOTID-NAVXHOJHSA-N | (+)-Ipc2BCl | (+)-B-Chlorodiisopinocampheylborane | (+)-b-chlorodiisopinocampheyl-b

仕様と純度

≥90%(approx.)

法的情報

DIP-Chloride is a trademark of Sigma-Aldrich Co. LLC

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

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。

純度

≥90%(approx.)

名前と識別子

• パブケム・シド: 504765098
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504765098
• カノニカル・スマイル: B(C1CC2CC(C1C)C2(C)C)(C3CC4CC(C3C)C4(C)C)Cl
• IUPAC Name: chloro-bis[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane
• InChIKey: PSEHHVRCDVOTID-NAVXHOJHSA-N
• INCHI: 1S/C20H34BCl/c1-11-15-7-13(19(15,3)4)9-17(11)21(22)18-10-14-8-16(12(18)2)20(14,5)6/h11-18H,7-10H2,1-6H3/t11-,12-,13+,14+,15-,16-,17-,18-/m0/s1
• 異性体SMILES: B([C@H]1C[C@H]2C[C@@H]([C@@H]1C)C2(C)C)([C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)Cl
• WGKドイツ: 3
• UN番号: 3261
• 分子量: 320.75
• Reaxy-Rn: 9358455
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9358455&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: Alkylhaloboranes Organic metalloid salts Dialkylboranes Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pinane monoterpenoid - Alkylhaloborane - Dialkylborane - Organic metalloid salt - Alkylborane - Hydrocarbon derivative - Organic metalloid moeity - 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: 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

化学的性質と物理的性質

• 比旋光度［α］: +47.0 to +54.0 deg(Calcd. on Hexane solution)
• 融点（°C）: 53-55 °C (lit.)
• 分子量: 320.700 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 320.244 Da
• Monoisotopic Mass: 320.244 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 428.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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

XLogP3

よくある質問

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 112246-73-8, the molecular formula is C20H34BCl, and the molecular weight is 320.75 g/mol. InChIKey PSEHHVRCDVOTID-NAVXHOJHSA-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.