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苯基三甲基碘化铵 | 98-04-4

苯基三甲基碘化铵
Trimethylphenylammonium Iodide
98-04-4
C9H14IN
263.1186
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:苯基三甲基碘化铵结构式
87574488
名称和标识符
MDL MFCD00011791
InChIKey KKLAORVGAKUOPZ-UHFFFAOYSA-M
Inchi 1S/C9H14N.HI/c1-10(2,3)9-7-5-4-6-8-9;/h4-8H,1-3H3;1H/q+1;/p-1
SMILES [I-].[N+](C([H])([H])[H])(C([H])([H])[H])(C([H])([H])[H])C1C([H])=C([H])C([H])=C([H])C=1[H]
BRN 3916752
别名信息
- 中文别名 -
  • 苯基三甲基碘化铵
  • 三甲基苯基碘化铵
  • 碘化苯基三甲胺
  • 碘化三甲基苯基铵
  • Trimethylphenylammonium Iodide 苯基三甲基碘化铵
  • 三甲基氢氧化锍,甲醇溶液
- 英文别名 -
  • Phenyltrimethylammonium iodide
  • N,N,N-Trimethylanilinium iodide~Trimethyl phenylammonium iodide
  • Trimethylphenylammonium iodide
  • n,n,n-trimethylaniliniumiodide
  • n,n,n-trimethyl-benzenaminiuiodide
  • n,n,n-trimethylbenzenaminiumiodide
  • n,n-dimethylanilinemethiodide
  • phenyltrimethyl-ammoniuiodide
  • trimethylanilliniumiodide
  • trimethylphenyl-ammoniuiodide
  • trimethyl(phenyl)azanium,iodide
  • TriMethylsulfoniuM hydroxide solution
  • N,N,N-Trimethylanilinium iodide
  • Trimethylanilinium iodide
  • Trimethylanillinium iodide
  • N,N-Dimethylaniline methiodide
  • Ammonium, phenyltrimethyl-, iodide
  • N,N,N-Trimethylbenzenaminium iodide
  • Benzenaminium, N,N,N-trimethyl-, iodide
  • 4O888XQ7FP
  • Ammonium, trimethylphenyl-, iodide
  • Benzenaminium, N,N,N-trimethyl-, iodide (1:1)
  • MLS000069658
  • SMR000059200
  • Trimethylphenylammoniumjodid
  • Trim
  • Ammonium, trimethylphenyl-, iodide (8CI)
  • Benzenaminium, N,N,N-trimethyl-, iodide (9CI)
  • Trimethylphenylammonium iodide (6CI)
  • N,N,N-Trimethylaniline iodide
  • PHT
  • Phenyltrimethylammonium Iodide
  • AKOS015833269
  • CHEMBL1710726
  • D91934
  • P0246
  • HMS3374P05
  • DTXSID1021825
  • HMS2231J08
  • BS-42319
  • TRIMETHYL-PHENYL-AMMONIUM, IODIDE
  • 98-04-4
  • NSC-5047
  • WLN: 1K1 & 1 & R & I
  • NS00078808
  • SCHEMBL238393
  • Q27260285
  • HY-W009423
  • EINECS 202-630-3
  • NSC 5047
  • AI3-50906
  • TrimethylphenylammoniumIodide
  • N,N,N-Trimethylbenzaminium iodide (1:1)
  • MFCD00011791
  • PHENYLTRIMETHYLAMMONIUM IODIDE [MI]
  • N,N-Trimethylanilinium iodide
  • Benzenaminium,N,N-trimethyl-, iodide
  • trimethyl(phenyl)azanium
  • iodide
  • phenyl trimethyl ammonium iodide
  • FT-0675634
  • NSC5047
  • W-100097
  • FT-0675633
  • CS-W010139
  • UNII-4O888XQ7FP
物化性质
实验特性
LogP -1.11270
PSA 0.00000
Merck 7318
水溶性 Soluble in water and methanol.
沸点 °Cat760mmHg
熔点 227 ºC
闪点 °C
FEMA 2493
颜色与性状 白色粉末。
溶解性 未确定
敏感性 Light Sensitive
密度 1.4709 (estimate)
计算特性
精确分子量 263.01700
氢键供体数量 0
氢键受体数量 1
可旋转化学键数量 1
同位素质量 263.017
重原子数量 11
复杂度 95.8
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 2
表面电荷 0
拓扑分子极性表面积 0
国际标准相关数据
EINECS 5047
海关数据
海关编码 2923900090
海关数据

中国海关编码:

2923900090

概述:

2923900090 其他季铵盐及季铵碱。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

合成路线

合成路线:1 步

反应条件:
参考文献:
Transition-Metal-Free Photoredox Phosphonation of Aryl C-N and C-X Bonds in Aqueous Solvent Mixtures
By Pan, Lei et al, ACS Sustainable Chemistry & Engineering, 2022, 10(2), 691-695

合成路线:2 步

反应条件:
参考文献:
Iodomethane
By Sulikowski, Gary A. et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2005, From e-EROS Encyclopedia of Reagents for Organic Synthesis, 1-10

合成路线:1 步

反应条件:
参考文献:
Sonogashira Cross-Coupling of Aryl Ammonium Salts by Selective C-N Activation Catalyzed by Air- and Moisture-Stable, Highly Active [Pd(NHC)(3-CF3-An)Cl2] (An = Aniline) Precatalysts
By Lei, Peng et al, Organic Letters, 2022, 24(34), 6310-6315

合成路线:1 步

反应条件:
参考文献:
Organoarsenic compounds with an arsenic-nitrogen double bond. VII. Reaction of triphenylarsazoaryls with iodoalkanes
By Kokarev, G. I. et al, Zhurnal Obshchei Khimii, 1987, 57(4), 862-5

合成路线:5 步

反应条件:
参考文献:
Reactivity of halogen substituents of p-halogenoperfluoroanilines in acid media
By Kobayashi, H. et al, Journal of Fluorine Chemistry, 1985, 27(1), 1-22

合成路线:2 步

反应条件:
参考文献:
Palladium-catalyzed direct reductive cross-coupling of aryltrimethylammonium salts with aryl bromides
By Zhang, Chen et al, Organic Chemistry Frontiers, 2021, 8(17), 4865-4870

合成路线:1 步

反应条件:
参考文献:
Arylammonium salts
By Schlummer, B. and Scholz, U., Science of Synthesis, 2007, 31b, 1679-1695

合成路线:2 步

反应条件:
参考文献:
A new and efficient synthesis of monotritiomethyl iodide
By Saljoughian, Manouchehr et al, Journal of Labelled Compounds and Radiopharmaceuticals, 1989, 27(7), 767-76

合成路线:1 步

反应条件:
参考文献:
Sonogashira Cross-Coupling of Aryltrimethylammonium Salts
By Chen, Qianwei et al, ACS Catalysis, 2019, 9(4), 3730-3736

合成路线:1 步

反应条件:
参考文献:
"Host-guest" binding of a luminescent dinuclear Au(I) complex based on cyclic diphosphine with organic substrates as a reason for luminescence tuneability
By Shamsutdinova, Nataliya A. et al, New Journal of Chemistry, 2016, 40(11), 9853-9861

合成路线:2 步

反应条件:
参考文献:
Iodomethane
By Sulikowski, Gary A. et al, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2001, From e-EROS Encyclopedia of Reagents for Organic Synthesis, No pp. given

合成路线:1 步

反应条件:
参考文献:
Carbon-13 nuclear magnetic resonance studies of aromatic amine-borane adducts
By Paz-Sandoval, M. A. et al, Spectrochimica Acta, 1987, 43A(11), 1331-5

合成路线:1 步

反应条件:
参考文献:
Transition-Metal-Free Reaction of Aryltrimethylammonium Iodides with Arylzinc Reagents
By Dai, Wei-Can and Wang, Zhong-Xia, Chemistry - An Asian Journal, 2017, 12(23), 3005-3009

合成路线:1 步

反应条件:
参考文献:
Functionalized IRMOF-3: an efficient heterogeneous catalyst for the cycloaddition of allyl glycidyl ether and CO2
By Kim, Yu-Jin and Park, Dae-Won, Journal of Nanoscience and Nanotechnology, 2013, 13(3), 2307-2312

合成路线:1 步

反应条件:
参考文献:
The demethylation of some tertiary amine and alkaloid methacetates (MSc Thesis)
By Wilson, Nigel David Vaughan, No pp.; 1967, 1967, , From No pp.

合成路线:3 步

反应条件:
参考文献:
Phase-transfer alkylation with sulfonium salts
By Badet, Bernard et al, Synthesis, 1980, (11), 926-9
相关文献
专业数据库参考
PubChemId 87574488
参考资料
Reaxys RN 3916752
Beilstein 12(3)254
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