Phosphazene base P2-t-Bu solution - ~2.0 M in THF , CAS No.111324-03-9

CAS: 111324-03-9 Cat. No.: P353098 分子式: C₁₄H₃₉N₇P₂ 分子量: 367.45 EC番号: 627-896-1 PubChem CID: 4275357

GRADE & PURITY ~2.0 M in THF

Synonyms

J-002559 | CJTQESMNKMUZAO-UHFFFAOYSA-N | 1-tert-Butyl-2,2,4,4,4-pentakis(dimethylamino)-2-lambda5,-4lambda5-catenadi(phosphazene) | 1-tert-Butyl-2,2,4,4,4-pentakis(dimethylamino)-2Lambda5,4Lambda5-catenadi(phosphazene) | AKOS015894796 | DTXSID30401465 | S

Storage

Room temperature,Argon charged

Shipped In

Normal

概要

Extremely strong and hindered neutral nitrogen base; approximately 109 times more basic than DBU [pKa (DMSO) 21.45]. Stable to hydrolysis and unaffected by alkylating agents. Highly selective base. Deprotonation of phosphines.

Specifications

同義語

J-002559 | CJTQESMNKMUZAO-UHFFFAOYSA-N | 1-tert-Butyl-2,2,4,4,4-pentakis(dimethylamino)-2-lambda5,-4lambda5-catenadi(phosphazene) | 1-tert-Butyl-2,2,4,4,4-pentakis(dimethylamino)-2Lambda5,4Lambda5-catenadi(phosphazene) | AKOS015894796 | DTXSID30401465 | S

仕様と純度

~2.0 M in THF

保管条件

Room temperature,Argon charged

入荷

Normal

名前と識別子

• パブケム・シド: 504762942
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504762942
• カノニカル・スマイル: CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
• IUPAC Name: N-[tert-butylimino-(dimethylamino)-[[tris(dimethylamino)-λ5-phosphanylidene]amino]-λ5-phosphanyl]-N-methylmethanamine
• InChIKey: CJTQESMNKMUZAO-UHFFFAOYSA-N
• INCHI: 1S/C14H39N7P2/c1-14(2,3)15-22(17(4)5,18(6)7)16-23(19(8)9,20(10)11)21(12)13/h1-13H3
• 異性体SMILES: CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C
• WGKドイツ: 3
• PubChem CID: 4275357
• UN番号: 2920
• 包装グループ: I
• 分子量: 367.45

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organonitrogen compounds
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a nitrogen atom.
• 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

• 引火点（°F）: 1.4 °F
• 引火点（°C）: -17 °C
• 沸点（°C）: 66° C
• 分子量: 367.450 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 367.274 Da
• Monoisotopic Mass: 367.274 Da
• Topological Polar Surface Area: 40.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 447.000
• 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

参考文献

1. Lijuan Deng, Wenshan Guo, Huu Hao Ngo, Xinbo Zhang, Dong Wei, Qin Wei, Shihai Deng.  (2023)  Novel catalysts in catalytic upcycling of common polymer wastes.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.144350]