Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II) (HCID 105144)

概要

See also: Palladium (annotation moved to).

名称と識別子

優先名称: Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
IUPAC: palladium(2+)
現地名: パラジウム(II)
英語名: Allylchloro[1,3-bis(2,6-di-I-propylphenyl)imidazol-2-ylidene]palladium (II)
分子式: C30H41ClN2Pd
分子量: 571.53

名称と別名

Allyl[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloropalladium(II)Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)RefChem:554893625-870-4PALLADIUM IONpalladium(2+)16065-88-6Palladous ionPalladium(2+), ionPALLADIUM(II)Palladium, ion (Pd(2+))palladium(+2)

名称をさらに表示

パラジウム(II)アリルクロロ[1,3‐ビス(2,6‐ジイソプロピルフェニル)イミダゾール‐2‐イリデン]パラジウム(II)アリル[1,3-ビス(2,6-ジイソプロピルフェニル)イミダゾール-2-イリデン]クロロパラジウム(II)アリルクロロ[1,3-ビス(2,6-ジ-i-プロピルフェニル)イミダゾール-2-イリデン]パラジウム(II), 98%[1,3-ビス(2,6-ジイソプロピルフェニル)-1,3-ジヒドロ-2H-イミダゾール-2,2-ジイド](クロリド)(プロパ-2-エン-1-イド)パラジウム(NHC)Pd(allyl)Cl-2-yLUmicore CX21ALLYLCHLORO[1,3-BIS(2imidazol-2-ylidene]palladium(II)UMicore CX21, 18% Pd, Product of UMicoreAllylchloro[1,3-bis(2,6-di-i-propylphenyl)[1,3-bis(2,6-diisopropylphenyl)-2H-imidazol-2-yl]-chloro-pal...

PDIIPd++Pd2+SCHEMBL29372082DTXSID10936361MUJIDPITZJWBSW-UHFFFAOYSA-NQ27464366

データベース識別子

CAS: 16065-88-6、478980-03-9
PubChem CID: 105144
DTXSID: DTXSID10936361
EC Number: 625-870-4
Nikkaji: J3.792.114I

物性

構造計算による物性

極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 0
回転可能結合数: 0
重原子数: 1
形式電荷: 2
複雑度: 0

物理化学的性質

融点: 190 °C · 190°C (dec.)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
外見: 粉
色: 白い
InChI: InChI=1S/Pd/q+2
InChIKey: MUJIDPITZJWBSW-UHFFFAOYSA-N
SMILES: [Pd+2]

化学的性質

化学的特性Yellow crystal

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H252 (34.4%): Self-heating in large quantities; may catch fire [Warning Self-heating substances and mixtures]

P235, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P407, P410, P413, P420, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 64 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSelf-heat. 2 (34.4%)

安全データ

wgk: 3
hs_code: 28439000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36/37
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用ALLYLCHLORO[1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE]PALLADIUM (II) is used as a catalyst for the arylation of ketones, Suzuki coupling reaction, Buchwald-Hartwig amination reaction, dehalogenation of aryl chlorides, and oxidation of secondary alcohols.

一般的な説明Allyl[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]chloropalladium(II) is an air-stable, well-defined palladium N-heterocyclic carbene complex, which can efficiently catalyze α-arylation of ketones.