HandaPhos

Inquiry

Molecular Formula:

C35H47O3P

Molecular Weight:

546.72

CAS Number:

1908442-13-6

Catalog Number:

1908442-13-6

Product Information

Molecular Formula:

C35H47O3P

Molecular Weight:

546.72

Description

HandaPhos forms a 1:1 complex with Pd(OAc)2 thereby arriving at a pre-catalyst, used at the ppm level, that enables Suzuki-Miyaura cross-couplings to be run under micellar catalysis in water at room temperature. To be used in tandem with Designer Surfactant TPGS-750-M.

Synonyms

3-(tert-butyl)-4-(2,6- dimethoxyphenyl)-2-(2,4,6- triisopropylbenzyl)-2,3- dihydrobenzo[d][1,3]oxaph osphole; 3-(tert-butyl)-4-(2,6-dimet hoxyphenyl)-2-(2,4,6-triiso propylbenzyl)-2,3-dihydro benzo[d][1,3]oxaphosphole; 3-(tert-Butyl)-4-(2,6-dimethoxyphenyl)-2-(2,4,6-triisopropylbenzyl)-2,3-dihydrobenzo[d][1,3]oxaphosphole

IUPAC Name

3-tert-butyl-4-(2,6-dimethoxyphenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]methyl]-2H-1,3-benzoxaphosphole

Canonical SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)CC2OC3=CC=CC(=C3P2C(C)(C)C)C4=C(C=CC=C4OC)OC)C(C)C

InChI

InChI=1S/C35H47O3P/c1-21(2)24-18-26(22(3)4)28(27(19-24)23(5)6)20-32-38-31-17-12-14-25(34(31)39(32)35(7,8)9)33-29(36-10)15-13-16-30(33)37-11/h12-19,21-23,32H,20H2,1-11H3

InChI Key

RXGMKJPMNONITA-UHFFFAOYSA-N

Flash Point

41.0 °F

Purity

≥95%

Storage

2-8°C

Safety Information

Hazards

H225 - H304 - H315 - H336 - H361d - H373 - H412

Precautionary Statement

P201 - P210 - P273 - P301 + P310 + P331 - P302 + P352 - P308 + P313

Computed Properties

XLogP3

9.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

546.32628235 g/mol

Monoisotopic Mass

546.32628235 g/mol

Topological Polar Surface Area

27.7Å²

Heavy Atom Count

Formal Charge

Complexity

730

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

HandaPhos

Product Information

Safety Information

Computed Properties

Related Products