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3-Chloro-N1-isopropylbenzene-1,2-diamine
Chemistry
Organic Building Blocks
Aryls
Amines Chlorides

[ CAS No. 1039985-78-8 ] {[proInfo.proName]}

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Chemical Structure| 1039985-78-8
Chemical Structure| 1039985-78-8
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Product Details of [ 1039985-78-8 ]

CAS No. :1039985-78-8 MDL No. :
Formula : C9H13ClN2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 184.67 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 1039985-78-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1039985-78-8 ]

[ 1039985-78-8 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 1039985-78-8 ]
  • [ 25118-59-6 ]
  • [ 1072930-39-2 ]
YieldReaction ConditionsOperation in experiment
70% 2-(4-Bromo-3-chloro-phenyl)-7-chloro-1-propyl-1H-benzoimidazole A mixture of <strong>[25118-59-6]4-bromo-3-chloro-benzoic acid</strong> (10 g, 41.2 mmol) and 3-Chloro-2N-propyl-benzene-1,2-diamine (9.13 g, 49.4 mmol) in PPA (100 ml) was heated to 150 C. for 18 h. The mixture was poured onto ice/water. The pH was adjusted to 10 with a 30% aq. soln. of NaOH, filtered and extracted twice with EtOAc. The combined org layers were dried over Na2SO4, filtered and concentrated in vacuo. Purification by flash chromatography (Hex/EtOAc 100:0 to 20:80) provided the desired product (11.1 g, 70%). HPLC (System 3, 30-100% CH3CN): tR=3.591 min, MS (LC-MS): 358 [M+1].
70% With PPA; Polyphosphoric acid (PPA); at 150℃; for 18h; 2-(4-Bromo-3-chloro-phenyl)-7-chloro-1 -propyl-1 H-benzoimidazoleA mixture of <strong>[25118-59-6]4-bromo-3-chloro-benzoic acid</strong> (10 g, 41.2 mmol) and 3-Chloro-2N-propyl- benzene-1 ,2-diamine (9.13 g, 49.4 mmol) in PPA (100 ml) was heated to 150 0C for 18 h. The mixture was poured onto ice/water. The pH was adjusted to 10 with a 30% aq. soln. of NaOH, filtered and extracted twice with EtOAc. The combined org layers were dried over Na2SO4, filtered and concentrated in vacuo. Purification by flash chromatography (Hex/EtOAc 100:0 to 20:80) provided the desired product (1 1.1 g, 70%). HPLC (System 3, 30-100% CH3CN): tR = 3.591 min, MS (LC-MS): 358 [M+1].
Reference： [1]Patent: US2009/105266,2009,A1 .Location in patent: Page/Page column 32
[2]Patent: WO2008/128968,2008,A1 .Location in patent: Page/Page column 72
  • 2
  • [ 5096-73-1 ]
  • [ 1039985-78-8 ]
  • [ 1072930-20-1 ]
YieldReaction ConditionsOperation in experiment
29% 6-(7-Chloro-1 -propyl-1 H-benzoimidazol-2-yl)-pyridazin-3-olA mixture of <strong>[5096-73-1]6-chloro-pyridazine-3-carboxylic acid</strong> (8.6 g, 54.2 mmol) and and 3-chloro-N-2- propyl-benzene-1 ,2-diamine (9.62 g, 52.1 mmol) in PPA (50 ml) was heated to 200 0C for 12 h. The mixture was then poured onto ice/water. The pH was adjusted to 8 with a 20% aq. soln. of NaOH and the mixture was extracted with EtOAc. The combined org layers were dried over Na2SO4, filtered and concentrated in vacuo. Purification by flash chromatography <n="69"/>(Hex/EtOAc 100:0 to 0:100) furnished 6-(7-chloro-1 -propyl-1 H-benzoimidazol-2-yl)-pyridazin- 3-ol (4.5 g, 29%). UPLC (5-100% CH3CN): tR = 1.235 min, MS (ES+): 289 [M+1].
Reference： [1]Patent: WO2008/128968,2008,A1 .Location in patent: Page/Page column 67-68
  • 3
  • [ 1039985-78-8 ]
  • [ 110099-99-5 ]
  • [ 1072930-26-7 ]
YieldReaction ConditionsOperation in experiment
46% In tetrahydrofuran at 20℃; for 20h; 90 7-Chloro-2-(2-chloro-pyrimidin-5-yl)-1-propyl-1H-benzoimidazole A suspension of 2-hydroxy-pyrimidine-5-carboxylic acid (3.25 g, 23.2 mmol) [J. Arukwe, K. Undheim (1986) Acta. Chem. Scand., B40, 764-767], in POCl3 (100 ml) was heated to 80° C. for 48 h. The excess of POCl3 was evaporated and the residue was dried in HV for 2 h. The crude product was then taken up in anhydrous THF (30 ml), treated with 3-chloro-N-2-propyl-benzene-1,2-diamine (4.35 g, 23.6 mmol) and the solution was stirred for 20 h at RT. The mixture was then concentrated in vacuo. Purification by flash chromatography (DCM/MeOH 100:0 to 85:15) provided 7-chloro-2-(2-chloro-pyrimidin-5-yl)-1-propyl-1H-benzoimidazole (40% pure, 8.0 g, 46%). UPLC (5-100% CH3CN): tR=1.462 min, MS (ES+): 307 [M+1].
Reference： [1]Current Patent Assignee: CARCACHE; Novartis (w/o Sandoz); NOVARTIS AG; GLATTHAR - US2009/105266, 2009, A1 Location in patent: Page/Page column 30

Tags: 1039985-78-8; 3-Chloro-N1-isopropylbenzene-1,2-diamine; Chlorides

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