-
λ2-iron(2+) ion (1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphane chloro({5-[(dimethylamino)methyl]cyclopenta-1,4-dien-3-id-1-yl})palladium cyclopenta-2,4-dien-1-ide
-
ChemBase ID:
142023
-
Molecular Formular:
C27H39ClFeNPPd
-
Molecular Mass:
606.297021
-
Monoisotopic Mass:
605.08928806
-
SMILES and InChIs
SMILES:
CN(C)CC1=C[CH-]C=C1[Pd]Cl.C1C[C@H]2C[C@@H]1CC2PC1C[C@H]2CC[C@@H]1C2.C1=C[CH-]C=C1.[Fe+2]
Canonical SMILES:
C1C[C@H]2C[C@@H]1CC2PC1C[C@@H]2C[C@H]1CC2.[CH-]1C=CC=C1.Cl[Pd]C1=C[CH-]C=C1CN(C)C.[Fe+2]
InChI:
InChI=1S/C14H23P.C8H11N.C5H5.ClH.Fe.Pd/c1-3-11-5-9(1)7-13(11)15-14-8-10-2-4-12(14)6-10;1-9(2)7-8-5-3-4-6-8;1-2-4-5-3-1;;;/h9-15H,1-8H2;3-5H,7H2,1-2H3;1-5H;1H;;/q;2*-1;;+2;+1/p-1/t9-,10+,11+,12-,13?,14?;;;;;
InChIKey:
DUXRKVIPWWPBBE-HHYUVNRKSA-M
-
Cite this record
CBID:142023 http://www.chembase.cn/molecule-142023.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
λ2-iron(2+) ion (1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphane chloro({5-[(dimethylamino)methyl]cyclopenta-1,4-dien-3-id-1-yl})palladium cyclopenta-2,4-dien-1-ide
|
|
|
IUPAC Traditional name
|
λ2-iron(2+) ion (1R,4S)-bicyclo[2.2.1]heptan-2-yl(1S,4R)-bicyclo[2.2.1]heptan-2-ylphosphane chloro({5-[(dimethylamino)methyl]cyclopenta-1,4-dien-3-id-1-yl})palladium cyclopentadienide
|
|
|
Synonyms
|
SK-CC02-A
|
Chloro-2-(dimethylaminomethyl)-ferrocen-1-yl-(dinorbornylphosphine)palladium
|
2-(Dimethylaminomethyl)ferrocen-1-yl-palladium(II) chloride Dinorbornylphosphine Complex
|
氯-2-(二甲胺基甲基)-二茂铁-1-基-(二降冰片聚膦)钯
|
氯化(二-2-降冰片聚膦)(2-二甲基氨甲基二茂铁-1-基)钯(II)
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
|
0
|
H Donor
|
0
|
LogD (pH = 5.5)
|
2.8497508
|
LogD (pH = 7.4)
|
2.865986
|
Log P
|
2.8662
|
Molar Refractivity
|
64.5574 cm3
|
Polarizability
|
26.329254 Å3
|
Polar Surface Area
|
0.0 Å2
|
Rotatable Bonds
|
5
|
Lipinski's Rule of Five
|
false
|
DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
44696
|
General description sold in collaboration with Solvias AG Other Notes Catalyst for CN and CC coupling, especially Buchwald-Hartwig Amination; Heck and Suzuki coupling reactions are also possible. The catalyst is stable to air Packaging 1 g in glass bottle 250 mg in glass bottle |
PATENTS
PATENTS
PubChem Patent
Google Patent