Di-tert-butyl((2',6'-dimethoxy-(1,1'-biphenyl)-2-yl))phosphane

C₂₂H₃₁O₂PCAS 819867-21-5358.46 g/mol

Open in Covalent MOL file

Ether Phosphine

Properties

Molecular formula: C₂₂H₃₁O₂P
Molar mass: 358.46 g/mol
Exact mass: 358.2062 Da
logP: 6.08Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

819867-21-5

SMILES

CC(C)(C)P(C1=CC=CC=C1C2=C(C=CC=C2OC)OC)C(C)(C)C

InChIKey

JJPUFWFLYXQTEU-UHFFFAOYSA-N

InChI

InChI=1S/C22H31O2P/c1-21(2,3)25(22(4,5)6)19-15-10-9-12-16(19)20-17(23-7)13-11-14-18(20)24-8/h9-15H,1-8H3

Weigh it out

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Names and synonyms

1 names

2-(Di-tert-butylphosphino)-2',6'-dimethoxybiphenyl

Work with Di-tert-butyl((2',6'-dimethoxy-(1,1'-biphenyl)-2-yl))phosphane

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',6'-Dimethoxy-[1,1'-biphenyl]-2-yl)diphenylphosphine819867-24-859 % similar 2-(Di-tert-butylphosphino)biphenyl224311-51-754 % similar 2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl657408-07-652 % similar 2-(Di-tert-butylphosphino)-2′-methyl-1,1′-biphenyl255837-19-551 % similar Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane564483-19-849 % similar 2′-[Bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl[1,1′-biphenyl]-2-amine224311-49-348 % similar 2,2'-Dimethoxybiphenyl4877-93-447 % similar Tris(2-methoxyphenyl)phosphine4731-65-145 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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