2-(Dicyclohexylphosphino)-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl - CAS 1070663-78-3
Catalog: |
BB001964 |
Product Name: |
2-(Dicyclohexylphosphino)-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl |
CAS: |
1070663-78-3 |
Synonyms: |
dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphine; dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane |
IUPAC Name: | dicyclohexyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane |
Description: | Buchwald Phosphine Ligands for chemical Synthesis BrettPhos is a dialkylbiaryl phosphine ligand developed by the Buchwald group. It promotes cross-coupling reactions more efficiently and exhibits improved reactivity compared to other catalytic systems.It can be used in: palladium-catalyzed trifluoromethylation of aryl chlorides; Buchwald-Hartwig amination; synthesis of 4-aryl and alkyl substituted, N6-alkylated pyridazine-3,6-diamines via a Buchwald protocol. |
Molecular Weight: | 536.77 |
Molecular Formula: | C35H53O2P |
Canonical SMILES: | CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C |
InChI: | InChI=1S/C35H53O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h19-25,27-28H,9-18H2,1-8H3 |
InChI Key: | WDVGNXKCFBOKDF-UHFFFAOYSA-N |
Melting Point: | 187-195 °C |
Flash Point: | Not applicable |
Purity: | 98 % |
LogP: | 10.51360 |
GHS Hazard Statement: | H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021121396-A1 | Tricyclic compound that acts as plasma kallikrein inhibitor and use thereof | 20191220 |
WO-2021123372-A1 | Novel compounds and their use | 20191219 |
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PMID | Publication Date | Title | Journal |
22176593 | 20120111 | Experimental and computational evidence for gold vinylidenes: generation from terminal alkynes via a bifurcation pathway and facile C-H insertions | Journal of the American Chemical Society |
Complexity: | 643 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 536.37831793 |
Formal Charge: | 0 |
Heavy Atom Count: | 38 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 536.37831793 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 10.1 |
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