CAS 29964-62-3 (Butane-1,4-diyl)bis(diphenylphosphane)--dichloropalladium (1/1) (HCID 10974057)

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基本情報

CAS: 29964-62-3
標準SMILES: [Cl][Pd][Cl].c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIKey: JQXJBXVWVPVTOO-UHFFFAOYSA-L
分子式: C28H28Cl2P2Pd
平均分子量: 603.8 g/mol
単同位体質量: 602.00781552

概要

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名称と識別子

優先名称: (Butane-1,4-diyl)bis(diphenylphosphane)--dichloropalladium (1/1)
IUPAC: dichloropalladium;4-diphenylphosphanylbutyl(diphenyl)phosphane
現地名: [1,4-ビス(ジフェニルホスフィノ)ブタン]パラジウム(ＩＩ) ジクロリド
英語名: 1,4-Bis(diphenylphosphino)butane-palladium(II) chloride
分子式: C28H28P2.Cl2Pd
分子量: 603.8

名称と別名

DTXSID30450296(Butane-1,4-diyl)bis(diphenylphosphane)--dichloropalladium (1/1)RefChem:1050830DTXCID2040111629964-62-31,4-Bis(diphenylphosphino)butane-palladium(II) chloride1,4-Butylenebis(diphenylphosphine)palladium dichloride[1,4-Bis(diphenylphosphino)butane]palladium(II) DichlorideDichloro[1,4-bis(diphenylphosphino)butane]palladium(II)dichloropalladium;4-diphenylphosphanylbutyl(diphenyl)phosphanePdCl2(dppb)MFCD02093437

名称をさらに表示

[1,4-ビス(ジフェニルホスフィノ)ブタン]パラジウム(ＩＩ) ジクロリド[1,4-ビス(ジフェニルホスフィノ)ブタン]パラジウム(II)ジクロリドジクロロ[1,4-ビス(ジフェニルホスフィノ)ブタン]パラジウム(II)[1,4-ビス(ジフェニルホスフィノ)ブタン]ジクロロパラジウム(Ⅱ)PDCI2(DPPB)Dichloro[bis(1,4-diphenylphosphino)butane]palladium(II)[1,4-bis(diphenylphosphino)butane] palladium(ll) dichlorideadium(II) DichL[1,4-Bis(diphenyLphosphino)butane]paLPalladium(ii) chloride 1,4-b

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: 9
重原子数: 33
形式電荷: 0
複雑度: 364

物理化学的性質

融点: 285 · 285-305 °C
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: エタノール、ベンゼン、エーテル系溶媒に可溶。
外見: 粉
色: 薄黄色
InChI: 1S/C28H28P2.2ClH.Pd/c1-5-15-25(16-6-1)29(26-17-7-2-8-18-26)23-13-14-24-30(27-19-9-3-10-20-27)28-21-11-4-12-22-28;;;/h1-12,15-22H,13-14,23-24H2;2*1H;/q;;;+2/p-2
InChIKey: JQXJBXVWVPVTOO-UHFFFAOYSA-L
SMILES: P(C1=CC=CC=C1)(CCCCP(C1=CC=CC=C1)C1C=CC=CC=1)C1=CC=CC=C1.[Pd](Cl)Cl

化学的性質

化学的特性yellow solid

安全と法規制

安全データ

F: 1-10
wgk: 3
hs_code: 28439000
risk_code: 36/37/38
hazard_code: Xn
safety_code: 24/25-36-27
ストレージクラス: 13 - Non Combustible Solids

化学と産業

応用分野 · 1 件

使用Dichloro[bis(1,4-diphenylphosphino)butane]palladium(II) is used for the catalysis of styrene carbonylation, coupling of alkyl Grignard reagents with organic halides, selective monoalkylation of organic polyhalides, and modification of the dihalovinyl moiety of synthetic pyrethroids.

調製方法 · 1 件

製造方法Dichloro[1,4-bis(diphenylphosphino)butane]palladium(II) (1,4-Bis(diphenylphosphino)butane-palladium(II) chloride) can be prepared conveniently in situ by mixing the bidentate phosphine ligand and (PhCN)2PdCl2 in either benzene or chloroform.[1] The preparation of (dppb)PdCl2 is also possible through the reaction of PdCl2 with dppb in acetone, a process that slowly forms the catalyst as a white precipitate which can be isolated in 51% yield.[2] Preparation of the hydrate complex is possible via the reaction of Na2[PdCl4] with dppb in a mixture of CH2Cl2 and water.