AdBrettPhos

C43H61O2PCAS 1160861-59-5640.93 g/mol

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POO
EtherPhosphine

Properties

Molecular formula
C43H61O2P
Molar mass
640.93 g/mol
Exact mass
640.4409 Da
logP
11.79Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
9

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1160861-59-5
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7)OC)OC)C(C)C
InChIKey
NMGHOZQCYNKWBG-UHFFFAOYSA-N
InChI
InChI=1S/C43H61O2P/c1-25(2)34-17-35(26(3)4)39(36(18-34)27(5)6)40-37(44-7)9-10-38(45-8)41(40)46(42-19-28-11-29(20-42)13-30(12-28)21-42)43-22-31-14-32(23-43)16-33(15-31)24-43/h9-10,17-18,25-33H,11-16,19-24H2,1-8H3

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Names and synonyms

1 names
  • 2-(Di-1-adamantylphosphino)-3,6-dimethoxy-2',4',6'-tri-I-propyl-1,1'-biphenyl, min. 95% adbrettphos

Work with AdBrettPhos

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine1070663-78-360 % similar 2-(Di-T-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-I-propyl-1,1'-biphenyl1262046-34-357 % similar 2-Bromo-2',4',6'-triisopropyl-3,6-dimethoxy-1,1'-biphenyl1402393-56-952 % similar Brettphospalladacycle1148148-01-943 % similar T-Bubrettphos palladacycle gen. 31536473-72-942 % similar Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane564483-19-838 % similar 2-Di-tert-butylphosphino-3,4,5,6-tetram&857356-94-638 % similar 2-(1-Adamantyl)-4-bromoanisole104224-63-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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