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4-氯-N-甲基苯胺 | 932-96-7

4-氯-N-甲基苯胺
4-Chloro-N-methylaniline
932-96-7
C7H8ClN
141.598120689392
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-氯-N-甲基苯胺结构式
24852631
4-氯-N-甲基苯胺价格
名称和标识符
MDL MFCD00000614
InChIKey XCEYKKJMLOFDSS-UHFFFAOYSA-N
Inchi 1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
SMILES ClC1C=CC(NC)=CC=1
BRN 2205846
别名信息
- 中文别名 -
  • 4-氯-N-甲基苯胺
  • 4-Chloro-N-methylaniline 4-氯-N-甲基苯胺
  • 4-氯-N-甲苯胺
  • 对氯-N-甲苯胺
  • 對氯-N-甲苯胺
- 英文别名 -
  • 4-Chloro-N-methylaniline
  • 4-Chloro-N-toluidine
  • 4-CHLOR-N-METHYLANILIN
  • 4-chloro-N-methyl-aniline
  • Aniline,p-chloro-N-methyl
  • Aniline,p-chloro-N-methyl-(7CI,8CI)
  • Benzenamine,4-chloro-N-methyl
  • BENZENAMINE,4-CHLORO-N-METHYL-
  • EINECS 213-262-8
  • N-(P-CHLOROBENZYL)METHYLAMINE
  • N-methyl N-4-chlorophenylamine
  • N-methyl-4-chloroaniline
  • N-methyl-4-Cl-aniline
  • N-methyl-p-chloroaniline
  • p-chloro-N-methylaniline
  • Aniline,p-chloro-N-methyl- (6CI,7CI,8CI)
  • 4-Chloro-N-methylbenzenamine
  • N-(4-Chlorophenyl)-N-methylamine
  • N-(4-Chlorophenyl)methylamine
  • p-(Methylamino)chlorobenzene
  • Benzenamine, 4-chloro-N-methyl-
  • Aniline, p-chloro-N-methyl-
  • 2IXY9JA2P8
  • XCEYKKJMLOFDSS-UHFFFAOYSA-N
  • Aniline, p-chloro-N-methyl- (7CI,8CI)
  • chloro-n-methylaniline
  • PubChem23344
  • N-methyl-4-chloro aniline
  • 4-chloro-N-meth
  • 4-Chloro-N-methylbenzenamine (ACI)
  • Aniline, p-chloro-N-methyl- (6CI, 7CI, 8CI)
  • N-Methyl-4-chloroaniline
  • N-Methyl-p-chloroaniline
  • p-Chloro-N-methylaniline
物化性质
实验特性
LogP 2.45470
PSA 12.03000
折射率 n20/D 1.584(lit.)
沸点 142°C/40mmHg(lit.)
闪点 华氏:125.6 °F
摄氏:52 °C
FEMA 3184
颜色与性状 未确定
溶解性 未确定
敏感性 对空气敏感
密度 1.169 g/mL at 25 °C(lit.)
计算特性
精确分子量 141.03500
氢键供体数量 1
氢键受体数量 1
可旋转化学键数量 1
同位素质量 141.034527
重原子数量 9
复杂度 77
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) 2.8
互变异构体数量
表面电荷 0
拓扑分子极性表面积 12
国际标准相关数据
EINECS 2889
合成路线

合成路线:1 步

反应条件:
参考文献:
Tandem Transformation of Nitro Compounds into N-Methylated Amines: Greener Strategy for the Utilization of Methanol as a Methylating Agent
Paul, Bhaskar; Shee, Sujan; Chakrabarti, Kaushik; Kundu, Sabuj, ChemSusChem, 2017, 10(11), 2370-2374

合成路线:1 步

反应条件:
参考文献:
Sustainable and Selective Monomethylation of Anilines by Methanol with Solid Molecular NHC-Ir Catalysts
Chen, Jiangbo; Wu, Jiajie; Tu, Tao, ACS Sustainable Chemistry & Engineering, 2017, 5(12), 11744-11751

合成路线:1 步

反应条件:
参考文献:
Room-Temperature Copper-Catalyzed Arylation of Dimethylamine and Methylamine in Neat Water
Wang, Deping; Kuang, Daizhi; Zhang, Fuxing; Yang, Chunlin; Zhu, Xiaoming, Advanced Synthesis & Catalysis, 2015, 357(4), 714-718

合成路线:1 步

反应条件:
参考文献:
Selective N-Monomethylation of Amines and Nitroarenes using Methanol over an Encapsulated Iridium Nanocatalyst
Fu, Aixiao; Liu, Qiang; Jiang, Mingxiang; Xu, Guoqiang, Asian Journal of Organic Chemistry, 2019, 8(4), 487-491

合成路线:1 步

反应条件:
参考文献:
Investigation of NNN Pincer Ruthenium(II) Complexes with a Pendant Hydroxyl Group for N-Monomethylation of amines and Nitroarenes by Methanol
Li, Kangkang; Li, Jin-Feng; Yin, Bing; Zeng, Fanlong, ChemCatChem, 2022, 14(11),

合成路线:1 步

反应条件:
参考文献:
Synthesis of N-methylated amines from acyl azides using methanol
Chakrabarti, Kaushik; Dutta, Kuheli; Kundu, Sabuj, Organic & Biomolecular Chemistry, 2020, 18(30), 5891-5896

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted one-pot synthesis of N-alkyl aromatic amines from benzanilide in presence of phase transfer catalyst
Tapase, Arvind B.; Shinde, Narayan; Shinde, Devanand, Organic Chemistry: An Indian Journal, 2010, 6(1), 52-55

合成路线:1 步

反应条件:
参考文献:
Hydrogenation of C=N bonds on TiO2 surface: The effect of the Cu2O/TiO2 p-n heterojunction photocatalyst
Jiang, Jie; Ding, Yuqiang, Surfaces and Interfaces, 2023, 37,

合成路线:1 步

反应条件:
参考文献:
Ruthenium(II) Complexes of Heteroditopic N-Heterocyclic Carbene Ligands: Efficient Catalysts for C-N Bond Formation via a Hydrogen-Borrowing Strategy under Solvent-Free Conditions
Donthireddy, S. N. R.; Mathoor Illam, Praseetha; Rit, Arnab, Inorganic Chemistry, 2020, 59(3), 1835-1847

合成路线:1 步

反应条件:
参考文献:
Sequential coupling of the transesterification of cyclic carbonates with the selective N-methylation of anilines catalyzed by faujasites
Selva, Maurizio; Perosa, Alvise; Fabris, Massimo, Green Chemistry, 2008, 10(10), 1068-1077

合成路线:1 步

反应条件:
参考文献:
Efficient Ruthenium-Catalyzed N-Methylation of Amines Using Methanol
Dang, Tuan Thanh; Ramalingam, Balamurugan; Seayad, Abdul Majeed, ACS Catalysis, 2015, 5(7), 4082-4088

合成路线:1 步

反应条件:
参考文献:
N-Methylation of Amines with Methanol Catalyzed by Iridium(I) Complexes Bearing an N,O-Functionalized NHC Ligand
Gonzalez-Lainez, Miguel; Jimenez, M. Victoria; Azpiroz, Ramon ; Passarelli, Vincenzo ; Modrego, F. Javier ; et al, Organometallics, 2022, 41(11), 1364-1380

合成路线:1 步

反应条件:
参考文献:
La-Catalyzed Decarbonylation of Formamides and Its Applications
Li, Shaocheng; Rajeshkumar, Thayalan; Liu, Jincheng; Maron, Laurent ; Zhou, Xigeng, Organic Letters, 2023, 25(1), 163-168

合成路线:1 步

反应条件:
参考文献:
General and efficient method for direct N-monomethylation of aromatic primary amines with methanol
Li, Feng; Xie, Jianjiang; Shan, Haixia; Sun, Chunlou; Chen, Lin, RSC Advances, 2012, 2(23), 8645-8652

合成路线:1 步

反应条件:
参考文献:
Simple RuCl3-catalyzed N-Methylation of Amines and Transfer Hydrogenation of Nitroarenes using Methanol
Sarki, Naina; Goyal, Vishakha; Tyagi, Nitin Kumar; Puttaswamy; Narani, Anand; et al, ChemCatChem, 2021, 13(7), 1722-1729

合成路线:1 步

反应条件:
参考文献:
A facile protocol for the synthesis of mono-N-methyl anilines via formimidate intermediates
Sun, Nan; Wang, Shuai; Mo, Weimin; Hu, Baoxiang; Shen, Zhenlu; et al, Tetrahedron, 2010, 66(35), 7142-7148

合成路线:1 步

反应条件:
参考文献:
Recyclable covalent triazine framework-supported iridium catalyst for the N-methylation of amines with methanol in the presence of carbonate
Liu, Peng ; Yang, Jiazhi; Ai, Yao; Hao, Shushu; Chen, Xiaozhong; et al, Journal of Catalysis, 2021, 396, 281-290

合成路线:1 步

反应条件:
参考文献:
Selective N-monomethylation of primary anilines with the controllable installation of N-CH2D, N-CHD2, and N-CD3 units
Meng, Jing; Xia, Hui-Min; Xu, Ai-Qing; Wang, Yi-Feng; Wang, Zhijuan; et al, Organic & Biomolecular Chemistry, 2020, 18(26), 4922-4926

合成路线:1 步

反应条件:
参考文献:
A highly active catalyst supported molecular sieves-NaHCO3 mixture for the selective and advantageous N-monoalkylation of amines
Das, Asish R.; Medda, Arunima; Singha, Raghunath; Guchhait, Nikhil, Journal of the Indian Chemical Society, 2009, 86(8), 841-848

合成路线:1 步

反应条件:
参考文献:
Selective N-monomethylation of primary anilines with dimethyl carbonate in continuous flow
Seo, Hyowon; Bedard, Anne-Catherine; Chen, Willie P.; Hicklin, Robert W.; Alabugin, Alexander; et al, Tetrahedron, 2018, 74(25), 3124-3128

合成路线:1 步

反应条件:
参考文献:
Efficient and selective hydrogenation of amides to alcohols and amines using a well-defined manganese-PNN pincer complex
Papa, Veronica; Cabrero-Antonino, Jose R.; Alberico, Elisabetta; Spanneberg, Anke; Junge, Kathrin; et al, Chemical Science, 2017, 8(5), 3576-3585

合成路线:1 步

反应条件:
参考文献:
Bimetallic Bis-NHC-Ir(III) Complex Bearing 2-Arylbenzo[d]oxazolyl Ligand: Synthesis, Catalysis, and Bimetallic Effects
Huang, Shuang; Hong, Xi; Cui, He-Zhen; Zhan, Bing; Li, Zhi-Ming; et al, Organometallics, 2020, 39(19), 3514-3523

合成路线:1 步

反应条件:
参考文献:
One-pot synthesis of N,N-dimethylanilines from nitroarenes with skeletal Cu as chemoselective catalyst
Rong, Zeming; Zhang, Wenjun; Zhang, Peng; Sun, Zhuohua; Lv, Jinkun; et al, Catalysis Communications, 2013, 41, 115-118

合成路线:1 步

反应条件:
参考文献:
Effect of the ancillary ligand in N-heterocyclic carbene iridium(III) catalyzed N-alkylation of amines with alcohols
Feng, Xinshu; Huang, Ming, Polyhedron, 2021, 205,

合成路线:1 步

反应条件:
参考文献:
CO2-tuned highly selective reduction of formamides to the corresponding methylamines
Guo, Zhiqiang; Pang, Tengfei; Yan, Leilei; Wei, Xuehong; Chao, Jianbin; et al, Green Chemistry, 2021, 23(19), 7534-7538

合成路线:1 步

反应条件:
参考文献:
N-Methylation of amines with methanol catalyzed by a Cp*Ir complex bearing a functional 2,2'-bibenzimidazole ligand
Liang, Ran; Li, Shun; Wang, Rongzhou; Lu, Lei; Li, Feng, Organic Letters, 2017, 19(21), 5790-5793

合成路线:1 步

反应条件:
参考文献:
Palladium-Catalyzed Oxidative Carbonylation of Aromatic C-H Bonds of N-Alkylanilines with CO and Alcohols for the Synthesis of o-Aminobenzoates
Chen, Ming; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui, Journal of Organic Chemistry, 2015, 80(2), 1258-1263

合成路线:1 步

反应条件:
参考文献:
Pd(II)/Ag(I)-Promoted One-Pot Synthesis of Cyclic Ureas from (Hetero)Aromatic Amines and Isocyanates
Youn, So Won; Kim, Yi Hyun, Organic Letters, 2016, 18(23), 6140-6143

合成路线:1 步

反应条件:
参考文献:
A Facile and Practical Copper Powder-Catalyzed, Organic Solvent- and Ligand-Free Ullmann Amination of Aryl Halides
Jiao, Jiao; Zhang, Xi-Ru; Chang, Ning-Hui; Wang, Jie; Wei, Jun-Fa; et al, Journal of Organic Chemistry, 2011, 76(4), 1180-1183

合成路线:1 步

反应条件:
参考文献:
Catalytic Hydrogenation of Carboxamides with a Bifunctional Cp*Ru Catalyst Bearing an Imidazol-2-ylidene with a Protic Aminoethyl Side Chain
Kawano, Teruhiro; Watari, Ryo; Kayaki, Yoshihito ; Ikariya, Takao, Synthesis, 2019, 51(12), 2542-2547

合成路线:1 步

反应条件:
参考文献:
Methylation of Aniline and Its Derivatives with Dimethyl Carbonate under the Action of Zeolite FeHY-mmm
Khusnutdinov, R. I.; Shchadneva, N. A.; Mayakova, Yu. Yu.; Abdrakhmanov, A. N.; Khazipova, A. N.; et al, Russian Journal of Organic Chemistry, 2019, 55(8), 1085-1087

合成路线:1 步

反应条件:
参考文献:
N-Methylation of ortho-substituted aromatic amines with methanol catalyzed by 2-arylbenzo[d]oxazole NHC-Ir(III) complexes
Huang, Shuang; Hong, Xi; Cui, He-Zhen; Zhou, Quan; Lin, Yue-Jian; et al, Dalton Transactions, 2019, 48(15), 5072-5082

合成路线:1 步

反应条件:
参考文献:
Chemoselectivity change in catalytic hydrogenolysis enabling urea-reduction to formamide/amine over more reactive carbonyl compounds
Iwasaki, Takanori ; Tsuge, Kazuki; Naito, Naoki ; Nozaki, Kyoko, Nature Communications, 2023, 14(1),

合成路线:1 步

反应条件:
参考文献:
The conversion of phenols to primary and secondary aromatic amines via a Smiles rearrangement
Coutts, Ian G. C.; Southcott, Mark R., Journal of the Chemical Society, 1990, (3), 767-71

合成路线:1 步

反应条件:
参考文献:
Highly efficient N-monomethylation of primary aryl amines
Peng, Yiyuan; Liu, Hanliang; Tang, Min; Cai, Lisheng; Pike, Victor, Chinese Journal of Chemistry, 2009, 27(7), 1339-1344

合成路线:1 步

反应条件:
参考文献:
Microwave-assisted deformylation of N-aryl formamide by KF on basic Al2O3
Ge, Yiyu; Hu, Longqin, Tetrahedron Letters, 2007, 48(26), 4585-4588

合成路线:1 步

反应条件:
参考文献:
Efficient and Versatile Catalytic Systems for the N -Methylation of Primary Amines with Methanol Catalyzed by N -Heterocyclic Carbene Complexes of Iridium
Toyooka, Genki; Tuji, Akiko; Fujita, Ken-ichi, Synthesis, 2018, 50(23), 4617-4626

合成路线:1 步

反应条件:
参考文献:
N-Methylation of Amines with Methanol in the Presence of Carbonate Salt Catalyzed by a Metal-Ligand Bifunctional Ruthenium Catalyst [(p-cymene)Ru(2,2'-bpyO)(H2O)]
Liu, Peng; Tung, Nguyen Thanh; Xu, Xiangchao; Yang, Jiazhi; Li, Feng, Journal of Organic Chemistry, 2021, 86(3), 2621-2631

合成路线:1 步

反应条件:
参考文献:
N-Methylation of Amines with Methanol in Aqueous Solution Catalyzed by a Water-Soluble Metal-Ligand Bifunctional Dinuclear Iridium Catalyst
Meng, Chong; Liu, Peng; Nguyen, Thanh Tung; Han, Xingyou; Li, Feng, Journal of Organic Chemistry, 2020, 85(9), 5815-5824

合成路线:1 步

反应条件:
参考文献:
Preparation and use of DMF-stabilized iridium nanoclusters as methylation catalysts using methanol as the C1 source
Oikawa, Kei; Itoh, Satoshi; Yano, Hiroki; Kawasaki, Hideya; Obora, Yasushi, Chemical Communications (Cambridge, 2017, 53(6), 1080-1083
相关文献
专业数据库参考
PubChemId 24852631
参考资料
Reaxys RN 2205846
Beilstein 12(4)1168
化合物详情(旧版)

SMILES

CNC1=CC=C(Cl)C=C1

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