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478980-03-9

ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98 is a homogeneous palladium catalyst with a unique imidazol-2-ylidene ligand, which provides enhanced stability and reactivity in various cross-coupling reactions. Its structure features a chloroallyl group and two bulky 2,6-di-i-propylphenyl substituents on the imidazole ring, which contribute to its high catalytic activity and selectivity.

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  • 478980-03-9 Structure

  • Basic information

    1. Product Name: ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98
    2. Synonyms: UMicore CX21, 18% Pd, Product of UMicore;(NHC)Pd(allyl)Cl;allyl(1,3-bis(2,6-diisopropylphenyl)-1H-imidazol-2(3H)-ylidene)palladium(IV) chloride;Allylchloro[1,3-bis(2,6-di-i-propylphenyl);imidazol-2-ylidene]palladium(II);ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98;PALLADIUM(II);ALLYLCHLORO[1,3-BIS-(DIISOPROPYLPHENYL)-IMIDAZOLE-2-YLIDENE]PALLADIUM(II)
    3. CAS NO:478980-03-9
    4. Molecular Formula: C30H41ClN2Pd
    5. Molecular Weight: 571.53
    6. EINECS: N/A
    7. Product Categories: Pd;alkylidene complex
    8. Mol File: 478980-03-9.mol

  • Chemical Properties

    1. Melting Point: 190°C (dec.)
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: white/Powder
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. CAS DataBase Reference: ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98(CAS DataBase Reference)
    10. NIST Chemistry Reference: ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98(478980-03-9)
    11. EPA Substance Registry System: ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98(478980-03-9)

  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: 36/37/38
    3. Safety Statements: 26-36/37/39-36/37
    4. WGK Germany: 3
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 478980-03-9(Hazardous Substances Data)

478980-03-9 Usage

Uses

Used in Pharmaceutical Industry:
ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98 is used as a catalyst for the arylation of ketones, enabling the formation of biaryl ketones that are key structural motifs in many pharmaceutical compounds. Its high catalytic efficiency and selectivity make it suitable for the synthesis of complex drug molecules.
Used in Chemical Industry:
In the chemical industry, ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98 is used as a catalyst for the Suzuki coupling reaction, which is a widely employed method for the formation of carbon-carbon bonds in the synthesis of various organic compounds, including polymers, agrochemicals, and advanced materials.
Used in Fine Chemicals Synthesis:
ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98 is used as a catalyst for the Buchwald-Hartwig amination reaction, which is a versatile method for the synthesis of various nitrogen-containing compounds, such as pharmaceuticals, agrochemicals, and natural products.
Used in Environmental Applications:
In environmental applications, ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98 is used as a catalyst for the dehalogenation of aryl chlorides, which is an important process for the removal of toxic and persistent halogenated pollutants from the environment.
Used in Organic Synthesis:
ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II), 98 is used as a catalyst for the oxidation of secondary alcohols, which is a key transformation in the synthesis of various organic compounds, including chiral building blocks, pharmaceuticals, and agrochemicals. Its high catalytic efficiency and selectivity make it suitable for the preparation of enantiomerically pure compounds.

Reaction

Catalyst for the cross-coupling of aryl chlorides with boronic acids. Catalyst for the diamination of conjugated dienes and trienes. Catalyst for the dehalogenation of aryl chlorides. Catalyst for anaerobic alcohol oxidation. Catalyst for anaerobic ketone oxidation and domino oxidation/α-arylation.

Check Digit Verification of cas no

The CAS Registry Mumber 478980-03-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 4,7,8,9,8 and 0 respectively; the second part has 2 digits, 0 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 478980-03:
(8*4)+(7*7)+(6*8)+(5*9)+(4*8)+(3*0)+(2*0)+(1*3)=209
209 % 10 = 9
So 478980-03-9 is a valid CAS Registry Number.
InChI:InChI=1/C27H37N2.C3H5.ClH.Pd/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-3-2;;/h9-21H,1-8H3;3H,1-2H2;1H;/q;;;+1/p-1/rC27H37ClN2Pd.C3H5/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)31-28)26-23(19(5)6)13-10-14-24(26)20(7)8;1-3-2/h9-20,27H,1-8H3;3H,1-2H2

478980-03-9SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name Allylchloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]palladium(II), 98%

1.2 Other means of identification

Product number -
Other names Allylchloro[1,3-bis(2,6-di-i-propylphenyl)imidazol-2-ylidene]palladium(II)

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:478980-03-9 SDS

478980-03-9Upstream product

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