tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) dipalladium

• ChemBase编号: 70002
• 分子式: C51H42O3Pd2
• 平均质量: 915.71738
• 单一同位素质量: 914.1203672
• SMILES: C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.C(=C\c1ccccc1)/C(=O)/C=C/c1ccccc1.[Pd].[Pd]
• Canonical SMILES: O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
• InChI: InChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11+,14-12+
• InChIKey: CYPYTURSJDMMMP-WVCUSYJESA-N

名称和登记号

名称

• IUPAC标准名: tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one) dipalladium; tris(1,5-diphenylpenta-1,4-dien-3-one) dipalladium
• IUPAC传统名: tris(dibenzylideneacetone) dipalladium
• 别名: ChemDose™，三[二亚苄基丙酮]二钯(0) 浸渍片; 三[二亚苄基丙酮]二钯(0)，ChemDose™ 片; 三(二亚苄基丙酮)二钯(0); Tris(dibenzylideneacetone)dipalladium; Tris[dibenzylideneacetone]dipalladium(0)impregnated tablets; ChemDose™, Tris[dibenzylideneacetone]dipalladium(0) impregnated tablets; Tris[dibenzylideneacetone]dipalladium(0), ChemDose™ tablets; Pd2(dba)3; Pd2dba3; Tris(dibenzylideneacetone)dipalladium(0)

登记号

• CAS号: 51364-51-3
• MDL号: MFCD00013310
• PubChem SID: 24859746; 162035727
• PubChem CID: 9811564

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.825144
• LogD (pH = 7.4): 4.825144
• Log P: 4.825144
• 摩尔折射率: 77.0272 cm^3
• 极化性: 28.964622 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 12
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 152-155 °C(lit.)

安全信息

• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 2; 3
• 危险公开号: 40
• 安全公开号: 36/37
• TSCA收录: false
• GHS危险品标识: GHS08
• GHS警示词: Warning
• GHS危险声明: H351
• GHS警示性声明: P281
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 95+%; 97%
• 基质: Magnesium aluminometasilicate base material
• 线性分子式: (C6H5CH=CHCOCH=CHC6H5)3Pd2

详细说明

Sigma Aldrich - 683345

Application
Umicore Precatalysts for Asymmetric and Cross-Coupling CatalysisCatalyst for C-C and C-N bond formation especially Suzuki, Heck coupling reaction
Application Guide for Palladium Catalyzed Cross-Coupling ReactionsReactant involved in:
• Synthesis of nanosized palladium phosphides upon interaction with white phosphorous1
• Preparation of palladium triphenylphosphine carbonyl cluster complexes2
• Precursor for synthesis of functionalized multiwalled carbon nanotube-palladium complexes used as catalysts for Heck coupling reactions3
• Selective carbon-sulfur bond formation via addition of S-S and S-H bonds to alkynes4Catalyst for:
• Suzuki cross-coupling reactions5
• PCN- and PCS-pincer palladium complex catalyzed tandem allylation6
包装
5 g in glass bottle
500 mg in glass bottle
Legal Information
Umicore 产品

Sigma Aldrich - 685135

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
法律信息
ChemDose 商标 Reaxa Ltd.

Sigma Aldrich - 328774

包装
1, 5, 25, 50, 100 g in glass bottle
500 mg in glass bottle
Application

• Catalyst for Suzuki coupling of aryl chlorides (eq. 1)
• Catalyst for Heck coupling of aryl chlorides (eq. 2)
• Catalyst for arylation of ketones (eq. 3)
• Catalyst for Buchwald-Hartwig amination of aryl halides (eq. 4)
• Catalyst for fluorination of allylic chlorides (eq. 5)
• Catalyst for β-arylation of carboxylic esters (eq. 6)
• Catalyst for carbonylation of 1,1-dichloro-1-alkenes (eq. 7)
• Catalyst for conversion of aryl and vinyl triflates to aryl and vinyl halides (eq. 8)
Application Guide for Palladium Catalyzed Cross-Coupling ReactionsReactant involved in:
• Synthesis of nanosized palladium phosphides upon interaction with white phosphorous1
• Preparation of palladium triphenylphosphine carbonyl cluster complexes2
• Precursor for synthesis of functionalized multiwalled carbon nanotube-palladium complexes used as catalysts for Heck coupling reactions3
• Selective carbon-sulfur bond formation via addition of S-S and S-H bonds to alkynes4Catalyst for:
• Suzuki cross-coupling reactions5
• PCN- and PCS-pincer palladium complex catalyzed tandem allylation6