t-BuDavePhos

CAS
224311-49-3
Catalog Number
ACM224311493
Category
Organic Phosphine Compounds
Molecular Weight
341.479g/mol
Molecular Formula
C22H32NP;

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Specification

Synonyms
2 inverted exclamation marka-(Di-tert-butylphosphino)-N,N-dimethylbiphenyl-2-amine; SCHEMBL238097; t-BuDavePhos, 97%; 2-di(tert-butyl)phosphino-2'-(N,N-dimethylamino)biphenyl; AB0005790; J3.548.578C; MFCD03426986; tBuDavePhos; [2'-(DI-TERT-BUTYL-PHOSPHANYL)-BIPHENYL-2-YL]-DIMETHYL-AMINE; SC-73179;
IUPAC Name
2-(2-ditert-butylphosphanylphenyl)-N,N-dimethylaniline;
Canonical SMILES
CC(C)(C)P(C1=CC=CC=C1C2=CC=CC=C2N(C)C)C(C)(C)C;
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;
InChI Key
PHLPNEHPCYZBNZ-UHFFFAOYSA-N;
Application
Useful ligand for Pd-catalyzed carbon-oxygen bond forming reactions.

Ligand used selective Pd-catalyzed arylation of ammonia. Application to the synthesis of dibenzodiazepines.

Ligand used for selective Pd-catalyzed silylation of aryl chlorides.

Ligand used for Pd(0)-catalyzed direct dehydrative coupling of terminal alkynes with allylic alcohols to access 1,4-enynes.
Complexity
376
Covalently-Bonded Unit Count
1
Exact Mass
341.227g/mol
H-Bond Acceptor
1
Heavy Atom Count
24
Monoisotopic Mass
341.227g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
3.2A^2
What is the molecular formula of t-BuDavePhos?

The molecular formula of t-BuDavePhos is C22H32NP.

When was t-BuDavePhos created and last modified?

It was created on 2005-07-19 and last modified on 2023-12-30.

What is the IUPAC Name of t-BuDavePhos?

The IUPAC Name of t-BuDavePhos is 2-(2-ditert-butylphosphanylphenyl)-N,N-dimethylaniline.

What is the InChI of t-BuDavePhos?

The InChI of t-BuDavePhos is 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.

What is the Molecular Weight of t-BuDavePhos?

The Molecular Weight of t-BuDavePhos is 341.5 g/mol.

What is the XLogP3-AA value of t-BuDavePhos?

The XLogP3-AA value of t-BuDavePhos is 5.2.

How many Hydrogen Bond Acceptor Count does t-BuDavePhos have?

t-BuDavePhos has 1 Hydrogen Bond Acceptor Count.

What is the Rotatable Bond Count of t-BuDavePhos?

The Rotatable Bond Count of t-BuDavePhos is 5.

What is the Heavy Atom Count of t-BuDavePhos?

The Heavy Atom Count of t-BuDavePhos is 24.

Is the Covalently-Bonded Unit Count of t-BuDavePhos Yes?

Yes, the Covalently-Bonded Unit Count of t-BuDavePhos is Yes.

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