2-(Dicyclohexylphosphino)-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl - CAS 1070663-78-3

Name: 2-(Dicyclohexylphosphino)-2',4',6'-triisopropyl-3,6-dimethoxybiphenyl
Brand: BOC Sciences
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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

Technical Data

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

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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