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2′-[Bis(1,1-Dimethylethyl)Phosphino]-N,N-Dimethyl[1,1′-Biphenyl]-2-Amine
CAS: 224311-49-3 | C22H32NP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
224311-49-3
Molecular Formula:
C22H32NP
Molecular Mass:
341.48 g/mol
Names and Synonyms:
2′-[Bis(1,1-Dimethylethyl)Phosphino]-N,N-Dimethyl[1,1′-Biphenyl]-2-Amine
[1,1′-Biphenyl]-2-amine, 2′-[bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl-
2′-[Bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl[1,1′-biphenyl]-2-amine
2-(Di-tert-butylphosphino)-2′-(dimethylamino)biphenyl
2′-(Di-tert-butylphosphino)-N,N-dimethylbiphenyl-2-amine
t-BuDavePhos
2-[Di(tert-butyl)phosphino]-2′-(dimethylamino)-[1,1′-biphenyl]
Di-tert-butyl[2-[2-(dimethylamino)phenyl]phenyl]phosphine
2-(2-Ditert-butylphosphanylphenyl)-N,N-dimethylaniline
Identifiers:
SMILES:
CN(C)c1ccccc1-c1ccccc1P(C(C)(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
Key Properties
Melting Point
111-113 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 341.48 g/mol | CAS Common Chemistry |
| 341.4790000000001 g/mol | RDKit | |
| 341.22723665399997 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=C(C1)C=2C=CC=CC2P(C(C)(C)C)C(C)(C)C)N(C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=PHLPNEHPCYZBNZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 111-113 °C | CAS Common Chemistry |
| Name | 2′-[Bis(1,1-dimethylethyl)phosphino]-N,N-dimethyl[1,1′-biphenyl]-2-amine | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| LogP | 6.123800000000006 | RDKit |
| Molar Refractivity | 112.26500000000007 | RDKit |
