2-(Di-T-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-I-propyl-1,1'-biphenyl

C₃₁H₄₉OPCAS 1262046-34-3468.71 g/mol

Open in Covalent MOL file

Ether Phosphine

Properties

Molecular formula: C₃₁H₄₉OP
Molar mass: 468.71 g/mol
Exact mass: 468.3521 Da
logP: 9.75Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 6

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1262046-34-3

SMILES

CC1=C(C(=C(C=C1)OC)P(C(C)(C)C)C(C)(C)C)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C

InChIKey

CVLLAKCGAFNZHJ-UHFFFAOYSA-N

InChI

InChI=1S/C31H49OP/c1-19(2)23-17-24(20(3)4)28(25(18-23)21(5)6)27-22(7)15-16-26(32-14)29(27)33(30(8,9)10)31(11,12)13/h15-21H,1-14H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(2',4'-Diisopropyl-3-methoxy-6-methyl-6'-propyl-2-biphenylyl)[bis(2-methyl-2-propanyl)]phosphine

Work with 2-(Di-T-butylphosphino)-3-methoxy-6-methyl-2',4',6'-tri-I-propyl-1,1'-biphenyl

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

AdBrettPhos1160861-59-557 % similar 2-Di-tert-butylphosphino-3,4,5,6-tetram&857356-94-655 % similar Dicyclohexyl[3,6-dimethoxy-2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine1070663-78-352 % similar 2-Bromo-2',4',6'-triisopropyl-3,6-dimethoxy-1,1'-biphenyl1402393-56-950 % similar Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphane564483-19-849 % similar T-Bubrettphos palladacycle gen. 31536473-72-948 % similar 1,1'-Biphenyl, 3-(1,1-dimethylethoxy)-2-iodo-6-methoxy-2',6'-bis(1-methylethyl)-2489243-25-438 % similar Brettphospalladacycle1148148-01-936 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook