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51364-51-3 分子结构
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(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one bis((1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one) dipalladium

ChemBase编号:302913
分子式:C51H42O3Pd2
平均质量:915.71738
单一同位素质量:914.1203672
SMILES和InChIs

SMILES:
c1ccc(cc1)/C=C/C(=O)/C=C/c1ccccc1.c1ccc(cc1)/C=C/C(=O)/C=C\c1ccccc1.c1ccc(cc1)/C=C/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;;/b13-11+,14-12+;2*13-11-,14-12+;;
InChIKey:
CYPYTURSJDMMMP-WDSUVSFASA-N

引用这个纪录

CBID:302913 http://www.chembase.cn/molecule-302913.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one bis((1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one) dipalladium
IUPAC传统名
tris(dibenzylideneacetone) dipalladium
别名
三(二亚苄基丙酮)二钯(0)
Bis[tris(dibenzylideneacetone)palladium(0)]
Pd2(dba)3
Tris(dibenzylideneacetone)dipalladium(0)
CAS号
51364-51-3
MDL号
MFCD00013310

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
Alfa Aesar 12760 external link 加入购物车
数据来源 数据ID 价格
Alfa Aesar
12760 external link 加入购物车 请登录
数据来源 数据ID

理论计算性质

理论计算性质

JChem
质子受体 质子供体
LogD (pH = 5.5) 4.825144  LogD (pH = 7.4) 4.825144 
Log P 4.825144  摩尔折射率 77.0272 cm3
极化性 28.964622 Å3 极化表面积 17.07 Å2
可自由旋转的化学键 12  里宾斯基五规则 false 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
Soluble in chlorinated solvents expand 查看数据来源
外观
Powder expand 查看数据来源
熔点
152-155°C expand 查看数据来源
保存注意事项
Air & Moisture Sensitive expand 查看数据来源
TSCA收录
expand 查看数据来源
纯度
Pd 21.5% min expand 查看数据来源

详细说明

详细说明

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Stable source of phosphine-free Pd(0), useful in a variety of coupling reactions. Literature references to the use of either "Pd(dba)2"or "Pd2(dba)3" can normally be regarded as interchangeable since the catalyst is of somewhat variable composition depending on the exact method of preparation.
  • For use in the coupling of aryl- or vinyltin reagents with allyl halides, see: J. Am. Chem. Soc., 105, 7173 (1983). For Suzuki coupling of boronic acids with carbapenem triflates, see: Tetrahedron Lett., 34, 3211 (1993).
  • Catalyzes the reduction of terminal allylic acetates or carbonates to 1-alkenes, with virtually complete regioselectivity: Synthesis, 623 (1986).
  • Catalyzes the hydroxycarbonylation of aryl and vinyl halides or triflates by lithium formate, to give carboxylic acids: Org. Lett., 5, 4269 (2003).
  • In the presence of allyl bromide, catalyzes the coupling of terminal alkynes to symmetrical diynes under phase-transfer conditions. The reaction is thought to involve a π-allyl Pd intermediate: Tetrahedron, 52, 1337 (1996).
  • In the presence of a chelating phosphine ligand and NaO-t-Bu, bromopyridines can be aminated: J. Org. Chem., 61, 7240 (1996):
  • Catalyst for Stille and Heck coupling reactions in supercritical CO2, in combination with, e.g. Tris[3,5-bis(trifluoromethyl)phenyl]phosphine, L06941: Chem. Commun., 1397 (1998).
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专利

专利

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