tert-Butyldiisopropylphosphine - ≥97% , CAS No.51567-05-6

CAS: 51567-05-6 Cat. No.: T469299 Molecular Weight: 174.26 EC Number: 625-599-1 PubChem CID: 555002

GRADE & PURITY ≥97%

Synonyms

di-isopropyl-t-butylphosphane | tert-Butyldiisopropylphosphine | OLSMQSZDUXXYAY-UHFFFAOYSA-N | t-Butyldiisopropylphosphine | tert-Butyldiisopropylphosphine, 97% | DTXSID30339259 | SCHEMBL984937 | Phosphine, (1,1-dimethylethyl)bis(1-methylethyl)- | F17197

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Description

tert-Butyldiisopropylphosphine is a phosphine ligand that can be utilized in C-C bond forming reactions.Monodentate P-Donor LigandCatalyst for selective propylene dimerization to dimethylbutenes

Specifications

Synonyms

di-isopropyl-t-butylphosphane | tert-Butyldiisopropylphosphine | OLSMQSZDUXXYAY-UHFFFAOYSA-N | t-Butyldiisopropylphosphine | tert-Butyldiisopropylphosphine, 97% | DTXSID30339259 | SCHEMBL984937 | Phosphine, (1, 1-dimethylethyl)bis(1-methylethyl)- | F17197

Specifications & Purity

≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(C)P(C(C)C)C(C)(C)C
• IUPAC Name: tert-butyl-di(propan-2-yl)phosphane
• InChIKey: OLSMQSZDUXXYAY-UHFFFAOYSA-N
• INCHI: 1S/C10H23P/c1-8(2)11(9(3)4)10(5,6)7/h8-9H,1-7H3
• Isomeric SMILES: CC(C)P(C(C)C)C(C)(C)C
• WGK Germany: 3
• PubChem CID: 555002
• Molecular Weight: 174.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organophosphorus compounds
    • Class Organic phosphines and derivatives

• Kingdom: Organic compounds
• Superclass: Organophosphorus compounds
• Class: Organic phosphines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphines and derivatives
• Alternative Parents: Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Phosphine - Organopnictogen compound - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphines and derivatives. These are organic compounds containing a phosphine derivative, with the general formula B1P(R2)R3 (R1-R3=alkyl, aryl).
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Boil Point(°C): 77-79 °C/10 mmHg
• Molecular Weight: 174.260 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 174.154 Da
• Monoisotopic Mass: 174.154 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 101.000
• 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