(4-Dimethylaminophenyl)di-tert-butylphosphine - ≥95% , CAS No.932710-63-9

CAS: 932710-63-9 Cat. No.: N139456 Molecular Weight: 265.37 EC Number: 802-197-6

GRADE & PURITY ≥95%

Synonyms

DTXSID10471005 | AS-66913 | Y-200027 | IQTHEAQKKVAXGV-UHFFFAOYSA-N | Bis(di-tert-butyl)-4-dimethylaminophenylphosphine | FT-0700602 | 4-(Di-tert-butylphosphino)-N,N-dimethylaniline | 4-(di-tert-butylphosphanyl)-N,N-dimethylaniline | AKOS016012292 | (4-(N,

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Usually used to prepare a palladium dichloride catalyst (678740) on treatment with PdCl2(COD). The catalyst effectively cross-couples aryl boronic acids with heteroaryl chlorides.

Specifications

Synonyms

DTXSID10471005 | AS-66913 | Y-200027 | IQTHEAQKKVAXGV-UHFFFAOYSA-N | Bis(di-tert-butyl)-4-dimethylaminophenylphosphine | FT-0700602 | 4-(Di-tert-butylphosphino)-N, N-dimethylaniline | 4-(di-tert-butylphosphanyl)-N, N-dimethylaniline | AKOS016012292 | (4-(N,

Specifications & Purity

≥95%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504766666
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766666
• Canonical Smiles: CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C
• IUPAC Name: 4-ditert-butylphosphanyl-N,N-dimethylaniline
• InChIKey: IQTHEAQKKVAXGV-UHFFFAOYSA-N
• INCHI: 1S/C16H28NP/c1-15(2,3)18(16(4,5)6)14-11-9-13(10-12-14)17(7)8/h9-12H,1-8H3
• Isomeric SMILES: CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C
• WGK Germany: 3
• Molecular Weight: 265.37
• Reaxy-Rn: 18966382
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18966382&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aniline and substituted anilines Organic phosphines and derivatives Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Dialkylarylamine - Benzenoid - Monocyclic benzene moiety - Phosphine - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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

• Solubility: Soluble in Acetone
• Sensitivity: Light & Air sensitive.
• Melt Point(°C): 69 °C
• Molecular Weight: 265.370 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 265.196 Da
• Monoisotopic Mass: 265.196 Da
• Topological Polar Surface Area: 3.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 237.000
• 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