(R)-(+)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole - CAS 244261-66-3
Catalog: |
BB018477 |
Product Name: |
(R)-(+)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole |
CAS: |
244261-66-3 |
Synonyms: |
[4-(5-diphenylphosphino-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphine; [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane |
IUPAC Name: | [4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane |
Description: | (R)-(+)-5,5'-Bis(diphenylphosphino)-4,4'-bi-1,3-benzodioxole (CAS# 244261-66-3) is a chelating ligand used to prepare coordination complex catalysts, such as its use in Pd catalysts for the enantioselective addition of diesters to 3,3-difluoropropenes, and in the Ni-based catalyst for the asymmetric propargylic amination of propargylic carbonates with an internal alkyne group. |
Molecular Weight: | 610.57 |
Molecular Formula: | C38H28O4P2 |
Canonical SMILES: | C1OC2=C(O1)C(=C(C=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)C5=C(C=CC6=C5OCO6)P(C7=CC=CC=C7)C8=CC=CC=C8 |
InChI: | InChI=1S/C38H28O4P2/c1-5-13-27(14-6-1)43(28-15-7-2-8-16-28)33-23-21-31-37(41-25-39-31)35(33)36-34(24-22-32-38(36)42-26-40-32)44(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-24H,25-26H2 |
InChI Key: | RZZDRSHFIVOQAF-UHFFFAOYSA-N |
MDL: | MFCD09753005 |
LogP: | 6.32740 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22915378 | 20120910 | Additive effects of amines on asymmetric hydrogenation of quinoxalines catalyzed by chiral iridium complexes | Chemistry (Weinheim an der Bergstrasse, Germany) |
22736416 | 20120727 | Enantioselective carbonyl propargylation by iridium-catalyzed transfer hydrogenative coupling of alcohols and propargyl chlorides | Angewandte Chemie (International ed. in English) |
22594561 | 20120627 | Iridium-catalyzed [2 + 2 + 2] cycloaddition of α,ω-diynes with nitriles | Journal of the American Chemical Society |
22524537 | 20120518 | Stereoselective synthesis of (S)-3-(methylamino)-3-((R)-pyrrolidin-3-yl)propanenitrile | The Journal of organic chemistry |
21739988 | 20110817 | Direct generation of acyclic polypropionate stereopolyads via double diastereo- and enantioselective iridium-catalyzed crotylation of 1,3-diols: beyond stepwise carbonyl addition in polyketide construction | Journal of the American Chemical Society |
Complexity: | 787 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 610.14628337 |
Formal Charge: | 0 |
Heavy Atom Count: | 44 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 610.14628337 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 36.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.5 |
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