4-(Di-tert-butylphosphino)-N,N-dimethylaniline - CAS 932710-63-9
Catalog: |
BB040829 |
Product Name: |
4-(Di-tert-butylphosphino)-N,N-dimethylaniline |
CAS: |
932710-63-9 |
Synonyms: |
4-ditert-butylphosphino-N,N-dimethylaniline; 4-ditert-butylphosphanyl-N,N-dimethylaniline |
IUPAC Name: | 4-ditert-butylphosphanyl-N,N-dimethylaniline |
Description: | Ligand used to prepare a palladium dichloride catalyst (678740) on treatment with PdCl2(COD). The catalyst effectively cross-couples aryl boronic acids with heteroaryl chlorides. |
Molecular Weight: | 265.37 |
Molecular Formula: | C16H28NP |
Canonical SMILES: | CC(C)(C)P(C1=CC=C(C=C1)N(C)C)C(C)(C)C |
InChI: | 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 |
InChI Key: | IQTHEAQKKVAXGV-UHFFFAOYSA-N |
Melting Point: | 57-61 °C |
Flash Point: | Not applicable |
Purity: | 95 % |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
LogP: | 4.45680 |
GHS Hazard Statement: | H314 (25%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
21319826 | 20110318 | Evidence for the role of tetramethylethylenediamine in aqueous Negishi cross-coupling: synthesis of nonproteinogenic phenylalanine derivatives on water | The Journal of organic chemistry |
15527271 | 20041112 | Aqueous-phase, palladium-catalyzed cross-coupling of aryl bromides under mild conditions, using water-soluble, sterically demanding alkylphosphines | The Journal of organic chemistry |
12049529 | 20020613 | Diastereoselective formation of indanes from arylboronate esters catalyzed by rhodium(I) in aqueous media | Organic letters |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.195936895 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.195936895 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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