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153305-67-0 分子结构
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(1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane

ChemBase编号:135664
分子式:C48H40P2
平均质量:678.778722
单一同位素质量:678.26052454
SMILES和InChIs

SMILES:
Cc1ccc(cc1)P(c1ccc(cc1)C)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccc(cc1)C)c1ccc(cc1)C
Canonical SMILES:
Cc1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccc(cc1)C)c1ccc(cc1)C)cccc2)c1ccc(cc1)C
InChI:
InChI=1S/C48H40P2/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42/h5-32H,1-4H3
InChIKey:
IOPQYDKQISFMJI-UHFFFAOYSA-N

引用这个纪录

CBID:135664 http://www.chembase.cn/molecule-135664.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
(1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane
IUPAC传统名
(1-{2-[bis(4-methylphenyl)phosphanyl]naphthalen-1-yl}naphthalen-2-yl)bis(4-methylphenyl)phosphane
别名
2,2′-双(二对甲苯基膦)-1,1′-联萘
(S)-(-)-2,2′-双(二对甲苯基膦)-1,1'-二联萘
(R)-(+)-2,2'-双(二-4-甲基苯基膦)-1,1'-联萘
(S)-(+)-2,2'-双(二-4-甲基苯基膦)-1,1'-联萘
(+/-)-2,2 '-二(二-对甲苯基膦)-1,1 '-联萘
(R)-(+)-2,2′-双(二-对甲苯基膦)-1,1′-联萘
(S)-(-)-2,2′-双(二-对甲苯基膦)-1,1′-联萘
(R)-(+)-2,2′-双(二-对甲苯基膦)-1,1′-联萘
rac-Tol-BINAP
2,2′-Bis(di-p-tolylphosphino)-1,1′-binaphthyl
(S)-(-)-2,2′-p-tolyl-phosphino)-1,1′-binaphthyl
(S)-T-BINAP
(R)-(+)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl
(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl
rac-p-Tol-BINAP
(±)-2,2'-Bis(di-p-tolylphosphino)-1,1'-binaphthyl
(R)-(+)-2,2′-Bis(di-p-tolylphosphino)-1,1′-binaphthyl
(S)-Tol-BINAP
(S)-(-)-2,2′-Bis(di-p-tolylphosphino)-1,1′-binaphthyl
(R)-Tol-BINAP
(R)-(+)-2,2′-Bis(di-p-tolylphosphino)-1,1′-binaphthyl
(R)-T-BINAP
CAS号
153305-67-0
100165-88-6
99646-28-3
MDL号
MFCD01311709
MFCD00269856
PubChem SID
162229937
24885012
24885013
24885011
PubChem CID
4189906

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) 13.7242  LogD (pH = 7.4) 13.7242 
Log P 13.7242  摩尔折射率 215.3892 cm3
极化性 87.70807 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)
外观
Powder expand 查看数据来源
熔点
250-255 °C expand 查看数据来源
252-256 °C expand 查看数据来源
254-258 °C expand 查看数据来源
255-257°C expand 查看数据来源
267-271 °C expand 查看数据来源
267-271°C expand 查看数据来源
比旋光度
[α]20/D +162°, c = 0.5 in benzene expand 查看数据来源
[α]20/D -156°, c = 0.5 in benzene expand 查看数据来源
+156 (c=0.5 in benzene) expand 查看数据来源
欧盟危险性物质标志
刺激性(Irritant) 刺激性(Irritant) (Xi) 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
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
36/37/38 expand 查看数据来源
安全公开号
26 expand 查看数据来源
26-37 expand 查看数据来源
TSCA收录
expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H315-H319-H335 expand 查看数据来源
GHS警示性声明
P261-P305 + P351 + P338 expand 查看数据来源
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
纯度
97% expand 查看数据来源
98% expand 查看数据来源
Empirical Formula (Hill Notation)
C48H40P2 expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  668982 external link
Application
Used in:
• Rhodium-catalyzed 2+2+2 cycloaddition reactions1
• Decarboxylative coupling of carboxylic acids using copper-palladium-phenanthroline-Tol-BINAP catalyst system2
• Palladium-catalyzed coupling of aromatic iodides or bromides and tin-thiolates under microwave conditions3
• Preparation of methylenesultams via intramolecular Heck cyclization of bromovinylsulfonamides and subsequent Michael addition reaction of sultams with thiols4
• Regioselective intermolecular cyclotrimerization of alkynes in complex with cationic rhodium(I)5
• Palladium-catalyzed amination reactions6
• Palladium-catalyzed ether formation from aryl halides7
Sigma Aldrich -  693049 external link
包装
100, 500 mg in glass bottle
Legal Information
与 Takasago 联合销售,仅供研究使用。
Application
Takasago Ligands and Complexes for Asymmetric Reactions
Catalyst involved in studies of the role of excess phosphine ligand in enantioselective conjugate addition of ethylmagnesium bromide and α,β-unsaturated esterReactant serving as a precursor for:
• Catalysts used for reductive amination of ketones
• Rh(I)-catalyst for hydrogenation of acetamidoacrylic acid derivatives
• Chiral platinum catalysts for asymmetric Baeyer-Villiger oxidation of cyclic ketones
• CuI-Tol-BINAP catalysts for enantioselective Michael reactions of Grignard reagents to unsaturated esters
• BINAP Pt Dications for cation trapping
Sigma Aldrich -  668966 external link
包装
1 g in glass bottle
250 mg in glass bottle
Application
Catalyst involved in studies of the role of excess phosphine ligand in enantioselective conjugate addition of ethylmagnesium bromide and α,β-unsaturated ester1Reactant serving as a precursor for:
• Catalysts used for reductive amination of ketones2
• Rh(I)-catalyst for hydrogenation of acetamidoacrylic acid derivatives3
• Chiral platinum catalysts for asymmetric Baeyer-Villiger oxidation of cyclic ketones4
• CuI-Tol-BINAP catalysts for enantioselective Michael reactions of Grignard reagents to unsaturated esters5
• BINAP Pt Dications for cation trapping6
Sigma Aldrich -  668974 external link
包装
1 g in glass bottle
250 mg in glass bottle
Sigma Aldrich -  693030 external link
包装
100, 500 mg in glass bottle
Legal Information
与 Takasago 联合销售,仅供研究使用。
Application
Takasago Ligands and Complexes for Asymmetric Reactions

参考文献

参考文献

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专利

专利

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