42205-08-3 ((Triethylbenzene)

快速询单

结构式：

TriethylbenzeneMOL文件

CAS号：

42205-08-3

英文名称：

Triethylbenzene

分子式：

C₁₂H₁₈

分子量：

162.271323680878

Triethylbenzene(42205-08-3)名称与标识符

名称

英文别名：

TRIETHYLBENZENE (mixed isomers);1,2,3-TRIETHYLBENZENE;HSDB 5174;246-875-4;Benzene, triethyl-(mixed isomers);DTXSID30195034;NS00049744;DTXSID9027867;42205-08-3;EINECS 246-875-4;SYM-TRIETHYLBENZENE;Benzene, 1,2,3-triethyl;TRIETHYLBENZENE;

标识符

InChIKey：

VIDOPANCAUPXNH-UHFFFAOYSA-N

Inchi：

1S/C12H18/c1-4-10-8-7-9-11(5-2)12(10)6-3/h7-9H,4-6H2,1-3H3

SMILES：

C1(CC)C(=CC=CC=1CC)CC

Triethylbenzene(42205-08-3)物化性质

计算特性

精确分子量 : 162.140850574Da
氢键供体数量 : 0
氢键受体数量 : 0
可旋转化学键数量 : 3
同位素质量 : 162.140850574Da
重原子数量 : 12
复杂度 : 105
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 4.5
拓扑分子极性表面积 : 0Å²

Triethylbenzene(42205-08-3)合成路线

合成路线：1 步

反应条件：

1.1 Catalysts: Aluminum ; 6 h, 3 MPa, 200 °C

参考文献：

Adjustment of the Al siting in MCM-22 zeolite and its effect on alkylation performance of ethylene with benzene

Wang, Yanan; et al, Catalysis Today, 2018, 316, 71-77

合成路线：1 步

反应条件：

1.1 3 - 15 s, 350 - 500 °C

参考文献：

1,3,5-Triethylbenzene Transformation Reactions Compared to Its Transalkylation Reaction with Ethylbenzene

Akhtar, M. Naseem; et al, Energy & Fuels, 2009, 23(8), 3866-3874

合成路线：1 步

反应条件：

1.1 Catalysts: 1,1′-(1,5-Pentanediyl)bis[1-methylpyrrolidinium] ; 7 h, 10 bar, 350 °C

参考文献：

Alkylation of ethylbenzene by using IM-5 catalyst

Pathak, Kanchan; et al, International Journal of Research in Pharmacy and Chemistry, 2013, 3(2), 411-425

Triethylbenzene(42205-08-3)相关文献

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Chakka Kiran Kumar,Shankar Deval Sathiyashivan,Dhanraj T. Masram,K. V. Jovan Jose,Malaichamy Sathiyendiran RSC Adv. 2019 9 753
3. Experimental and theoretical investigation of intramolecular cooperativity in cyclic benzene trimer motif
Chakka Kiran Kumar,Shankar Deval Sathiyashivan,Dhanraj T. Masram,K. V. Jovan Jose,Malaichamy Sathiyendiran RSC Adv. 2019 9 753
4. Steric group enforced aromatic cyclic trimer conformer in tripodal molecules
Shankar Deval Sathiyashivan,Bhaskaran Shankar,Palanisamy Rajakannu,Pratap Vishnoi,Dhanraj T. Masram,Malaichamy Sathiyendiran RSC Adv. 2015 5 74705
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Lígia M. Mesquita,Pedro Mateus,Rui D. V. Fernandes,Olga Iranzo,Vania André,Filipe Tiago de Oliveira,Carlos Platas-Iglesias,Rita Delgado Dalton Trans. 2017 46 9549
7. Conformations of benzene-based tripodal isatin-bearing compounds in the crystalline state
Mathias M. Schulze,Anke Schwarzer,Monika Mazik CrystEngComm 2017 19 4003
8. Selective recognition of tetrahedral dianions by a hexaaza cryptand receptor
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9. Improved binding affinity and interesting selectivities of aminopyrimidine-bearing carbohydrate receptors in comparison with their aminopyridine analogues
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10. Pyridinium CH?anion and π-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction
Warwick J. Belcher,Muriel Fabre,Tamer Farhan,Jonathan W. Steed Org. Biomol. Chem. 2006 4 781

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960化工网为您提供Triethylbenzene专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.42205-08-3,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:42205-08-3 国际站:42205-08-3

42205-08-3 ((Triethylbenzene)

Triethylbenzene(42205-08-3)名称与标识符

名称

标识符

Triethylbenzene(42205-08-3)物化性质

计算特性

Triethylbenzene(42205-08-3)合成路线

Triethylbenzene(42205-08-3)相关文献

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