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

Phosphine Tertiary 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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H413 May cause long lasting harmful effects to aquatic life90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

8 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
2-Di-tert-butylphosphino-2'-(N,N-dimethylamino)biphenyl

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'-(Diphenylphosphanyl)-N,N-dimethyl-[1,1'-biphenyl]-2-amine240417-00-958 % 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)-2'-(dimethylamino)biphenyl213697-53-151 % similar Di-tert-butyl((2',6'-dimethoxy-(1,1'-biphenyl)-2-yl))phosphane819867-21-548 % similar 2-Diphenylphosphino-2',6'-bis(dimethylamino)-1,1'-biphenyl1447963-71-444 % similar Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane564483-19-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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