chempirical

2′-[Bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl[1,1′-biphenyl]-2-amine

C22H32NPCAS 224311-49-3341.48 g/mol

Open in Covalent MOL file
NP
PhosphineTertiary amine

Properties

Molecular formula
C22H32NP
Molar mass
341.48 g/mol
Exact mass
341.2272 Da
Melting point
111–113 °C
logP
6.12Crippen estimate
Polar surface area
3.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
3

Identifiers

CAS number
224311-49-3
SMILES
CN(C)c1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C
InChIKey
PHLPNEHPCYZBNZ-UHFFFAOYSA-N
InChI
InChI=1S/C22H32NP/c1-21(2,3)24(22(4,5)6)20-16-12-10-14-18(20)17-13-9-11-15-19(17)23(7)8/h9-16H,1-8H3

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Names and synonyms

7 names
  • [1,1′-Biphenyl]-2-amine, 2′-[bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl-
  • 2-(Di-tert-butylphosphino)-2′-(dimethylamino)biphenyl
  • 2′-(Di-tert-butylphosphino)-N,N-dimethylbiphenyl-2-amine
  • t-BuDavePhos
  • 2-[Di(tert-butyl)phosphino]-2′-(dimethylamino)-[1,1′-biphenyl]
  • Di-tert-butyl[2-[2-(dimethylamino)phenyl]phenyl]phosphine
  • 2-(2-Ditert-butylphosphanylphenyl)-N,N-dimethylaniline

Work with 2′-[Bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl[1,1′-biphenyl]-2-amine

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

2-(Diphenylphosphino)-2′-(N,N-dimethylamino)biphenyl240417-00-958 % similar 2-(Di-tert-butylphosphino)-2′-methyl-1,1′-biphenyl255837-19-557 % similar 2-(Di-tert-butylphosphino)biphenyl224311-51-756 % similar [2′-(Amino-κN)[1,1′-biphenyl]-2-yl-κC][2′-[bis(1,1-dimethylethyl)phosphino-κP]-N,N-dimethyl[1,1′-biphenyl]-2-amine](methanesulfonato-κO)palladium1445085-92-652 % similar 2′-(Dicyclohexylphosphino)-N,N-dimethyl[1,1′-biphenyl]-2-amine213697-53-151 % similar 4-[Bis(1,1-dimethylethyl)phosphino]-N,N-dimethylbenzenamine932710-63-941 % similar Cphos1160556-64-839 % similar Dimethyl-O-toluidine609-72-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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