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5-(Di-tert-butylphosphino)-1-(naphthalen-1-yl)-1H-pyrazole

5-(Di-tert-butylphosphino)-1-(naphthalen-1-yl)-1H-pyrazole

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Molecular Formula:

C21H27N2P

Molecular Weight:

338.43

CAS Number:

894085-97-3

Catalog Number:

894085-97-3

Product Information

Molecular Formula:

C21H27N2P

Molecular Weight:

338.43

Description

Catalyst for amination reactions

Synonyms

5-[Bis(1,1-dimethylethyl)phosphino]-1-(1-naphthalenyl)-1H-pyrazole

IUPAC Name

ditert-butyl-(2-naphthalen-1-ylpyrazol-3-yl)phosphane

Canonical SMILES

CC(C)(C)P(C1=CC=NN1C2=CC=CC3=CC=CC=C32)C(C)(C)C

InChI

InChI=1S/C21H27N2P/c1-20(2,3)24(21(4,5)6)19-14-15-22-23(19)18-13-9-11-16-10-7-8-12-17(16)18/h7-15H,1-6H3

InChI Key

XJZYJFVKLNCBQF-UHFFFAOYSA-N

Melting Point

127-131 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

338.19118587 g/mol

Monoisotopic Mass

338.19118587 g/mol

Topological Polar Surface Area

17.8Å²

Heavy Atom Count

Formal Charge

Complexity

409

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

Patents

Publication Number	Title	Priority Date
WO-2020152200-A1	Process for preparation of heteroarylketones	2019-01-25

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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