2-(Di-1-adamantylphosphino)dimethylaminobenzene, 97% Me-DalPhos
Product Information
Molecular Formula
C28H40NP
Molecular Weight
421.60
Description
2-(Di-1-adamantylphosphino)dimethylaminobenzene, 97% Me-DalPhos, is a phosphine ligand in biomedical research. It primarily aids in metal-catalyzed reactions, leading to the formation of bioactive molecules. Notably applied in the synthesis of antineoplastic agents targeting cancer cells.
Synonyms
2-[bis(1-adamantyl)phosphanyl]-N,N-dimethylaniline; Me-Dalphos; Di(1-adamantyl)-2-dimethylaminophenylphosphine; 2-(Di-1-adamantylphosphino)dimethylaminobenzene; 1219080-77-9; 2-(Di-1-adamantylphosphino)-N,N-dimethylaniline
IUPAC Name
2-[bis(1-adamantyl)phosphanyl]-N,N-dimethylaniline
SMILES
CN(C)C1=CC=CC=C1P(C23CC4CC(C2)CC(C4)C3)C56CC7CC(C5)CC(C7)C6
InChI
InChI=1S/C28H40NP/c1-29(2)25-5-3-4-6-26(25)30(27-13-19-7-20(14-27)9-21(8-19)15-27)28-16-22-10-23(17-28)12-24(11-22)18-28/h3-6,19-24H,7-18H2,1-2H3
InChI Key
MILNYLCUWRWYBI-UHFFFAOYSA-N
Melting Point
237-242 °C
Flash Point
Not applicable
Purity
95%
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
XLogP3
7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
4
Exact Mass
421.28983728 g/mol
Monoisotopic Mass
421.28983728 g/mol
Topological Polar Surface Area
3.2Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
556
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114105922-A | Synthesis method of hydroxypropyl tetrahydropyrane triol | 2021-12-03 |
| EP-3771714-A1 | Nitrogen-containing heterocycles as pesticides | 2019-07-30 |
| WO-2020217733-A1 | Method for producing vadadustat intermediate | 2019-04-26 |
| CN-113767089-A | Preparation method of vatacostat intermediate | 2019-04-26 |
| WO-2020152200-A1 | Process for preparation of heteroarylketones | 2019-01-25 |
| CN-108659534-B | Building template material and preparation method thereof | 2018-05-23 |
| CN-111534100-A | Preparation method of building template material | 2018-05-23 |
| CN-111621153-A | Adamantyl sulfone based addition polymer building material and application thereof | 2018-05-23 |
| JP-2019042708-A | Catalyst composition for producing aromatic carboxylic acid or ester thereof from carbon dioxide and aromatic halogen compound, and method for producing aromatic carboxylic acid or ester thereof using the catalyst composition | 2017-09-06 |
| JP-6985696-B2 | A catalyst composition for producing an aromatic carboxylic acid or an ester thereof from carbon dioxide and an aromatic halogen compound, and a method for producing an aromatic carboxylic acid or an ester thereof using the catalyst composition. | 2017-09-06 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20024992 | 2010-02-08 | A highly versatile catalyst system for the cross-coupling of aryl chlorides and amines | Chemistry (Weinheim an der Bergstrasse, Germany) |
