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14694-95-2 分子结构
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chlororhodium; tris(triphenylphosphane)

ChemBase编号:112767
分子式:C54H45ClP3Rh
平均质量:925.214883
单一同位素质量:924.14776801
SMILES和InChIs

SMILES:
Cl[Rh].c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1
Canonical SMILES:
c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Rh]Cl
InChI:
InChI=1S/3C18H15P.ClH.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/q;;;;+1/p-1
InChIKey:
IXAYKDDZKIZSPV-UHFFFAOYSA-M

引用这个纪录

CBID:112767 http://www.chembase.cn/molecule-112767.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
chlororhodium; tris(triphenylphosphane)
IUPAC传统名
chlororhodium; tris(triphenylphosphine)
别名
Wilkinson 催化剂
三(三苯膦基)氯化铑(I)
三(三苯基膦)氯化铑(I)
RHODIUM TRIS(TRIPHENYLPHOSPHINE)CHLORIDE
NSC 124140
RhCl(PPh3)3
Rhodium(I) tris(triphenylphosphine) chloride
Wilkinson’s catalyst
Tris(triphenylphosphine)rhodium(I) chloride
Wilkinson's catalyst
Tris(triphenylphosphine)rhodium(I) chloride
Chlorotris(triphenylphosphine)rhodium(I)
CAS号
14694-95-2
EC号
238-744-5
MDL号
MFCD00010016
Beilstein号
4581440
默克索引号
1410047
PubChem SID
24851950
24889752
162097567
24852305
PubChem CID
0

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
PubChem 0 external link

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) 5.1066  LogD (pH = 7.4) 5.1066 
Log P 5.1066  摩尔折射率 81.6229 cm3
极化性 32.34495 Å3 极化表面积 0.0 Å2
可自由旋转的化学键 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 most solvents (e.g. benzene, ethanol, chloroform, dichloromethane) but with phosphine dissociation. Reacts with O2 in solution expand 查看数据来源
外观
Micro Crystals expand 查看数据来源
熔点
245-250 °C (dec.) expand 查看数据来源
ca 250°C dec. expand 查看数据来源
欧盟危险性物质标志
腐蚀性(Corrosive) 腐蚀性(Corrosive) (C) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
53 expand 查看数据来源
R:34 expand 查看数据来源
安全公开号
60-61 expand 查看数据来源
S:26-27/28-36/37/39-46-64 expand 查看数据来源
TSCA收录
expand 查看数据来源
GHS危险声明
H413 expand 查看数据来源
GHS警示性声明
P273-P501A expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
2-8°C expand 查看数据来源
纯度
≥97.0% (CH) expand 查看数据来源
97% expand 查看数据来源
99.9% trace metals basis expand 查看数据来源
级别
purum expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
线性分子式
[(C6H5)3P]3RhCl expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals -  05225710 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich -  205036 external link
Application
用于芳基硼酸与活化的烯基甲苯磺酸酯进行交叉偶联反应的有效催化剂。6也用于催化 DABCO 作用下烯丙基酚醚裂解为酚。7
Hydrosilylation CatalystsCatalyst used for many organic reactions including:
• Chemoselective allylic alkylations1
• Stoichiometric activation of Si-H bonds2 and hydrosilylations3
• Inter- and intramolecular hydroacylation of alkenes along with a cocatalyst4
• Polymerization of diorganostannanes5
包装
1 g in glass bottle
250 mg in glass bottle
5 g in poly bottle
Sigma Aldrich -  199982 external link
包装
1, 5 g in glass bottle
Application
Hydrosilylation CatalystsCatalyst used for many organic reactions including:
• Chemoselective allylic alkylations1
• Stoichiometric activation of Si-H bonds2 and hydrosilylations3
• Inter- and intramolecular hydroacylation of alkenes along with a cocatalyst4
• Polymerization of diorganostannanes5
Sigma Aldrich -  93403 external link
Application
Hydrosilylation CatalystsCatalyst used for many organic reactions including:
• Chemoselective allylic alkylations1
• Stoichiometric activation of Si-H bonds2 and hydrosilylations3
• Inter- and intramolecular hydroacylation of alkenes along with a cocatalyst4
• Polymerization of diorganostannanes5

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Homogeneous hydrogenation catalyst: J. Chem. Soc.(A), 1711 (1966), useful e.g. for the selective reduction of an unhindered alkene, of an unconjugated in the presence of a conjugated alkene: Org. Synth. Coll., 6, 459 (1988), or an alkene in the presence of a nitro group: J. Org. Chem., 67, 3163 (2002). Hydroxyl groups protected as their allyl ethers may be deprotected by isomerization with Wilkinson's Catalyst to the more readily-hydrolyzed 1-propenyl ether: J. Org. Chem., 38, 3224 (1973).
  • Aldehydes undergo decarbonylation with the complex: Tetrahedron Lett., 3969 (1965); J. Am. Chem. Soc., 93, 5465 (1971). The need for stoichiometric amounts of the complex, due to formation of an inactive Rh carbonyl complex, is a serious disadvantage. However, in the presence of Diphenylphosphonic azide, A12124, which regenerates the catalyst from the carbonyl complex, decarbonylations can be carried out catalytically at room temperature, providing a much more cost-effective and attractive method for this type of transformation: J. Org. Chem., 57, 5075 (1992).
  • Catalyst for hydrosilylation reactions, e.g. with Triethylsilane, A10320, including ɑ?-unsaturated ketones to silyl enol ethers, which can be hydrolyzed to saturated ketones: Organometallics, 1, 1390 (1982), and ɑ?-unsaturated esters to silyl ketene acetals with high (Z)-selectivity: Synth. Commun., 17, 1 (1989).
  • Co-catalyst giving improved results in intramolecular Heck coupling reactions catalyzed by Pd(OAc)2: J. Org. Chem., 64, 3461 (1999).
  • Used by Grigg for the catalytic [2+2+2] cyclotrimerization of alkynes, providing an efficient route to benzene-fused ring systems. See, e.g.: J. Chem. Soc., Perkin 1, 1357 (1988). For an intermolecular example with reaction scheme, see 1,6-Heptadiyne, A11318. Intramolecular assembly of suitably constructed triynes can also be accomplished to form benzene rings: Tetrahedron, 45, 6239 (1989). Also catalyzes the [5+2] cycloaddition of vinylcyclopropanes and alkynes: J. Am. Chem. Soc., 117, 4720 (1995); 120, 1940 (1998).
  • Electron-deficient olefins undergo Rh-catalyzed 1,4-addition with Bis(pinacolato)diboron, L16088, e.g. 2-cyclohexen-1-one to the ?-borylcyclohexanone: Tetrahedron Lett., 43, 2323 (2002):
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专利

专利

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