2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl - CAS 787618-22-8
Catalog: |
BB036241 |
Product Name: |
2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl |
CAS: |
787618-22-8 |
Synonyms: |
dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphine; dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane |
IUPAC Name: | dicyclohexyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane |
Description: | Bulky phosphine ligand used in a palladium-catalyzed cross-coupling of aminoethyltrifluoroborates with electron-poor aryl bromides. |
Molecular Weight: | 466.63 |
Molecular Formula: | C30H43O2P |
Canonical SMILES: | CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4 |
InChI: | InChI=1S/C30H43O2P/c1-22(2)31-27-19-13-20-28(32-23(3)4)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-25H,5-10,14-17H2,1-4H3 |
InChI Key: | MXFYYFVVIIWKFE-UHFFFAOYSA-N |
Boiling Point: | 551.7 °C at 760 mmHg |
Melting Point: | 123-126 °C |
Purity: | 98 % |
MDL: | MFCD06798294 |
LogP: | 8.70060 |
GHS Hazard Statement: | H302 (89.8%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021122975-A1 | Substituted thiophene carboxamides and derivatives thereof as microbicides | 20191220 |
WO-2021123051-A1 | Substituted thiophene carboxamides, thiophene carboxylic acids and derivatives thereof | 20191220 |
WO-2021127586-A1 | Protein tyrosine phosphatase degraders and methods of use thereof | 20191220 |
WO-2021127499-A1 | Protein tyrosine phosphatase inhibitors and methods of use thereof | 20191218 |
WO-2021117767-A1 | Method for producing nitrogen-containing heteroarylcarboxamide acetic acid derivative | 20191210 |
Complexity: | 516 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 466.30006761 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 466.30006761 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 8.3 |
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