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

CAS: 112246-73-8 Cat. No.: D466977 분자식: C₂₀H₃₄BCl 분자량: 320.75 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥90%(approx.)

법률 정보

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

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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순수함

≥90%(approx.)

이름과 식별자

• Pubchem Sid: 504765098
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765098
• 정식 스마일: 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
• 이성체 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 독일: 3
• UN 번호: 3261
• 분자량: 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
    • 분류 Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 특정 회전[α]: +47.0 to +54.0 deg(Calcd. on Hexane solution)
• 녹는점(°C): 53-55 °C (lit.)
• 분자량: 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

자주 묻는 질문

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.