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1,2,3,4-四氢咔唑 | 942-01-8

1,2,3,4-四氢咔唑
2,3,4,9-tetrahydro-1H-carbazole
942-01-8
C12H13N
171.238322973251
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:1,2,3,4-四氢咔唑结构式
13664
1,2,3,4-四氢咔唑价格
名称和标识符
MDL MFCD00004959
InChIKey XKLNOVWDVMWTOB-UHFFFAOYSA-N
Inchi 1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2
SMILES C1C=C2NC3CCCCC=3C2=CC=1
BRN 0133771
别名信息
- 中文别名 -
  • 1,2,3,4-四氢咔唑
  • 1,2,3,4-Tetrahydrocarbazole 1,2,3,4-四氢咔唑
  • 1,2,3,4-四氢咔唑,1,2,3,4-Tetrahydrocarbazole
  • 四氢咔唑
  • 2,3,4,9-四氢-1H-咔唑
- 英文别名 -
  • 2,3,4,9-Tetrahydro-1H-carbazole
  • 1,2,3,4-Tetyahydrocarbazole
  • 1,2,3,4-Tetrahydrocarbazole
  • Carbazole,1,2,3,4-tetrahydro- (6CI,7CI,8CI)
  • 1,2,3,4-Tetrahydro-9H-carbazole
  • 1H-Indole, 2,3-(1,4-butanediyl)-
  • 2,3-Tetramethylene-1H-indole
  • 2,3-Tetramethyleneindole
  • 5,6,7,8-Tetrahydro-9H-carbazole
  • NSC 17329
  • Tetrahydrocarbazole
  • 5,6,7,8-Tetrahydrocarbazole
  • 1H-Carbazole, 2,3,4,9-tetrahydro-
  • Carbazole, 1,2,3,4-tetrahydro-
  • CARBAZOLE, 5,6,7,8-TETRAHYDRO-
  • 8ZLK0TSX93
  • XKLNOVWDVMWTOB-UHFFFAOYSA-N
  • 5,6,7,8,9-pentahydro-4aH-carbazole
  • tetrahydocarbazole
  • PubChem9948
  • 1,2,3,4,-TETRAHYDROCARBAZOLE
  • 2,3,4,9-Tetrahydro-1H-carbazole (ACI)
  • Carbazole, 1,2,3,4-tetrahydro- (6CI, 7CI, 8CI)
物化性质
实验特性
LogP 3.04670
PSA 15.79000
折射率 1.6544 (estimate)
水溶性 Insoluble in water. Solubility in methanol (almost transparency).
沸点 186°C/10mmHg(lit.)
熔点 117.0 to 121.0 deg-C
蒸气压 0.0±0.7 mmHg at 25°C
闪点 325-330°C
颜色与性状 未确定
溶解性 未确定
密度 1.1459 (rough estimate)
计算特性
精确分子量 171.10500
氢键供体数量 1
氢键受体数量 0
可旋转化学键数量 0
同位素质量 171.104799
重原子数量 13
复杂度 190
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) 3.3
互变异构体数量
表面电荷 0
拓扑分子极性表面积 15.8
国际标准相关数据
EINECS 17329
海关数据
海关编码 2933990090
海关数据

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Applications of microwave accelerated organic chemistry
Majetich, G.; Hicks, R., Research on Chemical Intermediates, 1994, 20(1), 61-77

合成路线:1 步

反应条件:
参考文献:
The First Method for Protection-Deprotection of the Indole 2,3-π Bond
Baran, Phil S.; Guerrero, Carlos A.; Corey, E. J., Organic Letters, 2003, 5(11), 1999-2001

合成路线:1 步

反应条件:
参考文献:
Fischer cyclizations by microwave heating
Abramovitch, Rudolph A.; Bulman, Amanda, Synlett, 1992, (10), 795-6

合成路线:1 步

反应条件:
参考文献:
[(S)-BINAP]PdBr2-catalyzed direct synthesis of 2,3-disubstituted indoles via a tandem reaction between arylamines and α-diketones
Cabrera, A.; Sharma, P.; Ayala, M.; Rubio-Perez, L.; Amezquita-Valencia, Manuel, Tetrahedron Letters, 2011, 52(50), 6758-6762

合成路线:1 步

反应条件:
参考文献:
Process for preparation of carbazole by using zircon sand catalyst
, China, , ,

合成路线:1 步

反应条件:
参考文献:
Well-defined NHC-Pd complex-mediated intermolecular direct annulations for synthesis of functionalized indoles (NHC = N-hetero-cyclic carbene)
Jin, Zhong; Guo, Su-Xian; Qiu, Ling-Ling; Wu, Gui-Ping; Fang, Jian-Xin, Applied Organometallic Chemistry, 2011, 25(7), 502-507

合成路线:1 步

反应条件:
参考文献:
Application and comparison of the catalytic activity of Fe3O4 MNPs, kaolin and montmorillonite K10 for the synthesis of indole derivatives
Nami, Navabeh; Tajbakhsh, Mahmoud; Vafakhah, Mohamad, Iranian Chemical Communication, 2019, 7(1), 93-101

合成路线:1 步

反应条件:
参考文献:
Mild, efficient Fischer indole synthesis using 2,4,6-trichloro-1,3,5-triazine (TCT)
Siddalingamurthy, Eranna; Mahadevan, Kittappa M.; Masagalli, Jagadeesh N.; Harishkumar, Hosanagara N., Tetrahedron Letters, 2013, 54(41), 5591-5596

合成路线:1 步

反应条件:
参考文献:
Modular Synthesis of Indoles from Imines and o-Dihaloarenes or o-Chlorosulfonates by a Pd-Catalyzed Cascade Process
Barluenga, Jose; Jimenez-Aquino, Agustin; Aznar, Fernando; Valdes, Carlos, Journal of the American Chemical Society, 2009, 131(11), 4031-4041

合成路线:1 步

反应条件:
参考文献:
Copper Nanoparticles from Copper Aluminum Hydrotalcite: An Efficient Catalyst for Acceptor- and Oxidant-Free Dehydrogenation of Amines and Alcohols
Damodara, Dandu; Arundhathi, Racha; Likhar, Pravin R., Advanced Synthesis & Catalysis, 2014, 356(1), 189-198

合成路线:1 步

反应条件:
参考文献:
2,3-Disubstituted indoles from olefins and hydrazines via tandem hydroformylation-Fischer indole synthesis and skeletal rearrangement
Linnepe, Petra; Schmidt, Axel M.; Eilbracht, Peter, Organic & Biomolecular Chemistry, 2006, 4(2), 302-313

合成路线:1 步

反应条件:
参考文献:
Highly efficient dehydrogenation of indolines to indoles using hydroxyapatite-bound Pd catalyst
Hara, Takayoshi; Mori, Kohsuke; Mizugaki, Tomoo; Ebitani, Kohki; Kaneda, Kiyotomi, Tetrahedron Letters, 2003, 44(33), 6207-6210

合成路线:1 步

反应条件:
参考文献:
Microwave green organic chemistry: aiming for a desktop plant
Mase, Nobuyuki; Takeda, Kazuhiro; Sato, Kohei, Kemikaru Enjiniyaringu, 2019, 64(6), 395-402

合成路线:1 步

反应条件:
参考文献:
Ruthenium-Catalyzed Synthesis of Indoles from Anilines and Epoxides
Pena-Lopez, Miguel; Neumann, Helfried; Beller, Matthias, Chemistry - A European Journal, 2014, 20(7), 1818-1824

合成路线:1 步

反应条件:
参考文献:
Environmentally friendly method for preparing high-purity tetrahydrocarbazole
, China, , ,

合成路线:1 步

反应条件:
参考文献:
KHSO4.H2O/SiO2-catalyzed, one-pot, solvent-free synthesis of pyrazolines, tetrahydrocarbazoles and indoles using microwave irradiation
Kapoor, Kamal K.; Ganai, Bilal A.; Kumar, Satish; Andotra, Charanjeet S., Synthetic Communications, 2006, 36(18), 2727-2735

合成路线:1 步

反应条件:
参考文献:
Benign synthesis of indoles from anilines and epoxides: new application for ruthenium pincer catalysts
Monney, Angele; Pena-Lopez, Miguel; Beller, Matthias, Chimia, 2014, 68(4), 231-234

合成路线:1 步

反应条件:
参考文献:
A microwave-assisted, propylphosphonic anhydride (T3P) mediated one-pot Fischer indole synthesis
Desroses, Matthieu; Wieckowski, Krzysztof; Stevens, Marc; Odell, Luke R., Tetrahedron Letters, 2011, 52(34), 4417-4420

合成路线:1 步

反应条件:
参考文献:
Improved synthesis of 1,2,3,4-tetrahydrocarbazoles under ultrasonic irradiation
Surendiran, T.; Balasubramanian, S.; Sivaraj, D., Organic Chemistry: An Indian Journal, 2008, 4(9-11), 478-481

合成路线:1 步

反应条件:
参考文献:
Application and comparison of the catalytic activity of Fe3O4 MNPs, Kaolin and Montmorillonite K10 for the synthesis of indole derivatives
Nami, Navabeh; Tajbakhsh, Mahmoud; Vafakhah, Mohamad, Eurasian Chemical Communications, 2019, 1(1), 93-101
相关文献
专业数据库参考
PubChemId 13664
参考资料
Reaxys RN 133771
Beilstein 20,416
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