2,6-Diisopropylaniline - ≥95% , CAS No.24544-04-5

CAS: 24544-04-5 Cat. No.: D109348 Molecular Weight: 177.29 Beilstein Registry Number: 2208763 EC Number: 246-305-4

GRADE & PURITY ≥95%

Synonyms

EN300-19395 | 2,6-Diisopropylaniline, 97% | 2,6-Dilsopropylaniline | Q27252049 | 2,6-di(propan-2-yl)aniline | DTXSID5022279 | DIPA 2,6-DIISOPROPYLANILINE 2,6-bis(1-methylethyl)-benzenamin | InChI=1/C12H19N/c1-

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

2,6-Diisopropylaniline is an amine. It undergoes condensation with triacetylmethane in toluene in the presence of p-toluenesulfonic acid provides 3-[1-(2,6-diisopropylphenylamino)ethylidene]pentane-2,4-dione. 2,6-Diisopropylaniline is an aromatic amine. It reacts with bis(trimethylsilylmethyl)yttrium complexes supported by bulky amidopyridinate (Ap) and amidinate (Amd) ligands to afford yttrium alkyl anilido species. This reaction involves the elimination of TMS (Trimethylsilane). Used to prepare N-heterocyclic carbene complexes for α-arylation of acyclic ketones, amination of haloarenes,and aqueous Suzuki coupling.

Specifications

Synonyms

EN300-19395 | 2, 6-Diisopropylaniline, 97% | 2, 6-Dilsopropylaniline | Q27252049 | 2, 6-di(propan-2-yl)aniline | DTXSID5022279 | DIPA 2, 6-DIISOPROPYLANILINE 2, 6-bis(1-methylethyl)-benzenamin | InChI=1/C12H19N/c1-

Specifications & Purity

≥95%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488183188
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183188
• Canonical Smiles: CC(C)C1=C(C(=CC=C1)C(C)C)N
• IUPAC Name: 2,6-di(propan-2-yl)aniline
• InChIKey: WKBALTUBRZPIPZ-UHFFFAOYSA-N
• INCHI: 1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3
• Isomeric SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N
• WGK Germany: 2
• RTECS: BX4025000
• Molecular Weight: 177.29
• Beilstein: 2208763
• Reaxy-Rn: 2208763
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208763&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Cumenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Cumenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Cumenes
• Alternative Parents: Phenylpropanes Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylpropane - Cumene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
• 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: Miscible with ether and alcohol. Slightly miscible with water.
• Sensitivity: Air Sensitive
• Refractive Index: 1.532
• Flash Point(°F): 242.6 °F
• Flash Point(°C): 117°C
• Boil Point(°C): 257°C
• Melt Point(°C): -45°C
• Molecular Weight: 177.290 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 177.152 Da
• Monoisotopic Mass: 177.152 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 135.000
• 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

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