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CAS No. :144689-93-0 MDL No. :MFCD07787565
Formula : C12H20N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :KZBJJAFGNMRRHN-UHFFFAOYSA-N
M.W : 240.30 Pubchem ID :10562026
Synonyms :

Safety of [ 144689-93-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
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Application In Synthesis of [ 144689-93-0 ]

* 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.

  • Upstream synthesis route of [ 144689-93-0 ]
  • Downstream synthetic route of [ 144689-93-0 ]

[ 144689-93-0 ] Synthesis Path-Upstream   1~16

  • 1
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YieldReaction ConditionsOperation in experiment
85%
Stage #1: at -10 - 0℃; for 0.166667 h;
Stage #2: With water; ammonium chloride In tetrahydrofuran; dichloromethane
Example-1 Preparation of Ethyl-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate To a 3M solution of MeMgCl(55.86 g, 0.74 mol) in tetrahydrofuran was added a solution of diethyl 2-propyl imidazole- 4,5-dicarboxylate (50 g,0.19 mol) in tetrahydrofuran (200 ml) at -10 to 0°C under N2 atmosphere. The mixture was stirred at -5 to 0°C for 10 minutes. Reaction mass was quenched into 400 ml 25 percent ammonium chloride solution followed by extraction with ethyl acetate (300 ml). The organic phase was separated, washed with brine, dried over Na2SO4, and concentrated in vacuo to give a syrup, which was crystallized using diisopropyl ether. Yield: 85-90 percent, Purity by HPLC: 88-93 percent. 1H-NMR (CDCl3) δ: 7.8-8.1 (s, 1H), 5.8(s, 1H)., 4.35(q, 2H), 2.68(t, 2H), 1.78(m, 2H), 1.61(s, 6H), 1.36(t, 3H), 0.96(t, 3H).
Reference: [1] Patent: EP1916246, 2008, A2, . Location in patent: Page/Page column 5
[2] Patent: EP2298763, 2011, A1, . Location in patent: Page/Page column 28
  • 2
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YieldReaction ConditionsOperation in experiment
97.5% With iodine; magnesium In dichloromethane at 15 - 25℃; for 2 h; Methyl bromide gas (35 g, 0.3686 mol) was passed through a dry solution of tetrahydrofuran (100 mL) and a small portion (5 to 10 mL) of this solution was added dropwise to a solution of magnesium strip (8 g, 0.33 mol) The solution of iodine (0.02g) and dry tetrahydrofuran (50mL) was stirred at room temperature. After the reaction was initiated, the solution of the remaining methyl bromide in THF was slowly added dropwise to keep the reaction slightly boiling. After the addition was complete, the reaction was continued for 3h until the magnesium strip disappeared. Get the corresponding Grignard reagent;The imidazole diesters of the compounds of the formula II 15g (0.059mol) was dissolved in dry dichloromethane (50mL), slowly added dropwise to the homemade format reagents, the dropping period, maintaining the temperature of the reaction system below 15 °C, after the addition was complete, the control The reaction was continued stirring at a temperature of 15 ~ 25 °C for 2h, after the reaction was cooled to 0 °C, further diluted with ethyl acetate (150mL), and then saturated amine chloride solution (100mL) was slowly added dropwise The process of maintaining the system temperature below 10 °C, dropping completed, the organic layer was collected by stratification, washed with saturated sodium chloride solution (30mLX3), and then dried over anhydrous sodium sulfate, and then concentrated under reduced pressure to remove the solvent To give a residue. The resulting residue was recrystallized from isopropyl ether-n-hexane solvent, filtered and dried to give a white powdery solid 4- (1-hydroxy-1-methylethyl) -2-propyl- 1H-imidazole-5-carboxylate (13.8 g, yield: 97.5percent , HPLC: 99.7percent)
Reference: [1] Patent: CN104177296, 2017, B, . Location in patent: Paragraph 0048; 0049; 0052; 0053
  • 3
  • [ 74-87-3 ]
  • [ 144689-94-1 ]
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YieldReaction ConditionsOperation in experiment
80%
Stage #1: With magnesium In tetrahydrofuran for 0.5 h; Reflux
Stage #2: at 30℃; for 2.5 h;
100 g (4.16 mol) of magnesium powder was added to tetrahydrofuran (2 L)At 60 ° C into the methyl chloride gas to magnesium powder all disappeared (about 3 hours),And then reflux for 30 minutes,Cold to room temperature,A solution of gray magnesium chloride in methylmagnesium chloride in tetrahydrofuran was prepared.A solution of ethyl 2-propylimidazole-4,5-dicarboxylate (2) (211.9 g, 0.83 mol) in 2.1 L tetrahydrofuran was added dropwise at 30 ° C.2 hours plus finished,Stirring was continued for 30 minutes.The solvent was removed under reduced pressure and the residue was added dropwise to a solid solution of saturated ammonium chloride solution. Add ethyl acetate 2.5L, the organic layer, the water layer and then ethyl acetate 500ml X 2 extraction, organic layer merger. Wash with saturated salt once. Dried over anhydrous magnesium sulfate. The solvent was evaporated to give pale yellow oil 1 (160.2 g, 80percent) with an APLC purity of 92.91percent, with ketone ethyl ester impurity 3 being 5.04percent
Reference: [1] Patent: CN104356069, 2016, B, . Location in patent: Paragraph 0070-0072
  • 4
  • [ 64-17-5 ]
  • [ 849206-42-4 ]
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YieldReaction ConditionsOperation in experiment
92%
Stage #1: at 40 - 50℃;
Stage #2: With sodium hydrogencarbonate In water; ethyl acetate
.0 grams of 4,4-dimethyl-2-propyl-4,6-dihydrofuro [3,4-d] imidazole (formula II) from Example 1, 30 ml of ethanol and 0.1 ml of concentrated sulfuric acid were added into 100 ml three-necked flask and stirred until completely dissolved, heated to 40-50°C and maintained at that temperature until the reaction completed. The reaction mixture was then allowed to cool to ambient temperature, the solvent was evaporated, 30 ml of ethyl acetate and 30 ml of water were added, and the mixture was adjusted to basic using sodium bicarbonate, The organic layer was separated and the aqueous layer was further extracted with 10 ml x 3 of ethyl acetate. The organic portion was washed once with saturated saline solution, dried over anhydrous magnesium sulfate and filtered, the solvent was evaporated to give 3.4 grams of ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate, resulting in a yield of 92percent..
Reference: [1] Patent: EP2374799, 2011, A1, . Location in patent: Page/Page column 9
  • 5
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Reference: [1] Journal of Medicinal Chemistry, 1996, vol. 39, # 1, p. 323 - 338
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Reference: [1] Patent: US5616599, 1997, A,
  • 7
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YieldReaction ConditionsOperation in experiment
85%
Stage #1: Reflux
Stage #2: With sodium hydrogencarbonate In water; ethyl acetate
3.0 grams of 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid (formula III) from Example 4, 30 ml of ethanol, and 3.36 grams of thionyl chloride were added into 100 ml three-necked flask, and refluxed until the reaction completed. The reaction mixture was then allowed to cool to ambient temperature, the solvent was evaporated, 30 ml of ethyl acetate and 30 ml of water were added, and the mixture was adjusted to basic using sodium bicarbonate. The organic layer was separated and the aqueous layer was further extracted with 10 ml x 3 of ethyl acetate. The organic portion was washed once with saturated saline solution, dried over anhydrous magnesium sulfate and filtered, the solvent was evaporated to give 2.9 grams of ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate, resulting in a yield of 85percent.
Reference: [1] Patent: EP2374799, 2011, A1, . Location in patent: Page/Page column 10
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Reference: [1] Journal of Medicinal Chemistry, 1996, vol. 39, # 1, p. 323 - 338
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Reference: [1] Journal of Medicinal Chemistry, 1996, vol. 39, # 1, p. 323 - 338
  • 10
  • [ 144690-04-0 ]
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Reference: [1] Patent: EP2374799, 2011, A1,
  • 11
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Reference: [1] Patent: EP2374799, 2011, A1,
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YieldReaction ConditionsOperation in experiment
93.8%
Stage #1: With potassium carbonate In butanone at 60℃; for 2 h;
Stage #2: With N,N-dimethyl acetamide In butanone at 45℃; for 4 h;
Weigh 24.0 g of compound 1, 55.7 g of compound 2, And add 124g of potassium carbonate, Then 200 mL of butanone was added, Warmed to 60 ° C, Stir for two hours, Cool to 45 , The composite catalyst (a mixture of polyethylene glycol 400 and N, N-dimethylacetamide in a mass ratio of 5: 1) Continue stirring for 4 hours, TLC detection, Show two kinds of raw materials are not left. The reaction is over, filter, The filtrate was collected, concentrate, Get oil, A mixture of 50 mL of ethanol and water (2: 1 by volume) Stirring, A large number of solid precipitation, filter, Collect the solid, Washed with 50mL n-hexane beating, The target compound 67.3g, Yield 93.8percent The HPLC purity was 99.3percent.
90.7% With tetrabutylammomium bromide; potassium carbonate In acetone at 50 - 60℃; for 20 h; Green chemistry 400 ml of acetone was added to a 1 L glass reaction flask, and 111. 4 g of N-(triphenylmethyl)-5-(4'-bromomethylbiphenyl-2-yl)tetrazole, 48.0 of ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazol-5-carboxylate was added with stirring, 55.2 g of potassium carbonate, 6.4 g of tetrabutylammonium bromide, heated to 50-60 °C, After the incubation reaction for 20 hours, the temperature was lowered to 20-30 °C, 200 ml of water was added, stirred for 30 minutes, and filtered, and the filter cake was successively rinsed with 200 ml of water and 200 ml of acetone. The filter cake was air-dried at 40-50 ° C for 12 hours to give a white solid, 130.0 g ( Intermediate 1), yield: 90.7percent, HPLC: 98.6percent.
89% With potassium carbonate In acetonitrile for 7 h; Heating / reflux Preparation of Olmesartan Medoxomil
Example 1
17.3 g (124.8 mmol) of K2CO3, 15 g (62.4 mmol) ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate (III) and 38.3 g (68.7 mmol) 4-[2-(trityltetrazol-5-yl)phenyl]-benzyl bromide (IVa) were suspended in 750 ml of acetonitrile.
The suspension was then heated under reflux until the reaction was completed (7 h).
510 ml of acetonitrile were distilled off and the concentrate was cooled to 23 to 25° C.
The mixture was stirred at this temperature overnight, then the suspension was cooled to 0° C. and stirred at this temperature for 1 h.
The crude product (Va) was filtered off and washed 2* with 20 ml of cooled acetonitrile.
Wet product was suspended in 450 ml of water, stirred for 1.5 h and after that filtered off.
The mass of dried product (Va) was 39.5 g (89percent).
T=165-169° C.
IR: 1666, 1525, 1291, 1446, 1177, 881, 756, 699, 640
89% With potassium carbonate In acetonitrile for 7 h; Heating / reflux Examples; Preparation of olmesartan medoxomil; Example 1; 17.3 g (124.8 mmol) of K2CO3, 15 g (62.4 mmol) ethyl 4-(l -hydroxy- 1-methy lethyl)-2- propylimidazole-5-carboxylate (III) and 38.3 g (68.7 mmol) 4-[2-(trityltetrazol-5-yl)phenyl]- benzyl bromide (IVa) were suspended in 750 ml of acetonitrile. The suspension was then heated under reflux until the reaction was completed (7 h). 510 ml of acetonitrile were distilled off and the concentrate was cooled to 23 to 25 0C. The mixture was stirred at this temperature overnight, then the suspension was cooled to 0 0C and stirred at this temperature for 1 h. The crude product (Va) was filtered off and washed 2χ with 20 ml of cooled acetonitrile. Wet product was suspended in 450 ml of water, stirred for 1.5 h and after that filtered off. The mass of dried product (Va) was 39.5 g (89 percent).T = 165-169°CIR: 1666, 1525, 1291, 1446, 1 177, 881, 756, 699, 640
88% With potassium carbonate In acetonitrile for 7 h; Heating / reflux Preparation of olmesartan medoxomil
Example 1
17.3 g (124.8 mmol) of K2CO3, 15 g (62.4 mmol) ethyl 4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylate (III) and 38.3 g (68.7 mmol) 4-[2-(trityltetrazol-5-yl)phenyl]-benzyl bromide (IVa) were suspended in 750 ml of acetonitrile.
The suspension was then heated under reflux until the reaction was completed (7 h).
510 ml of acetonitrile were distilled off and the concentrate was cooled to 23 to 25 °C.
The mixture was stirred at this temperature overnight, then the suspension was cooled to 0 °C and stirred at this temperature for 1 h.
The crude product (Va) was filtered off and washed 2x with 20 ml of cooled acetonitrile.
Wet product was suspended in 450 ml of water, stirred for 1.5 h and after that filtered off.
The mass of dried product (Va) was 39.5 g (89 percent).
T=165-169°C
IR: 1666, 1525, 1291, 1446, 1177, 881, 756, 699, 640
85% With potassium carbonate In acetone; polyethylene glycol 400 for 11 h; Heating / reflux Example 1; Ethyl 4-( 1 -hydroxy- 1 -methylethyl)-2-propyl- 1 - { 4- [2-(tetrazol-5-yi)phenyl]phenyl}methyl- imidazole-5-carboxylate (3); Acetone (200 ml) was added to the weighed ethyl ester of 4-(l -hydroxy- l-methylethyl)-2- propyl-lH-imidazole-5-carboxylic acid (1; 20 g), substance 2 (46.4 g), potash (40 g), and polyethylene glycol 400 (2 g). The resulting mixture was heated to the boil for H h. After filtering off the solids the filtrate was concentrated, ethanol (350 ml) was added to the concentrated filtrate, and the suspension was heated to the boil. After it was cooled to 15 °C (20 minutes), the insoluble portion was sucked off and washed with ethanol (40 ml). After drying (50 0C, in vacuo), 50.7 g of the product (85 percent) was obtained.
75% With potassium carbonate In N,N-dimethyl acetamide; acetone for 10 h; Reflux A mixture of ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1H-imidazole-5-carboxylate (1, 10 g, 41.61 mmol), 5-(4'-bromomethyl-biphenyl-2-yl)-1-trityl-1H-tetrazole (25.516 g, 45.77 mmol), and anhydrous potassium carbonate (2.876 g, 20.81 mmol) in a solvent mixture of DMAc (25 mL) and acetone (250 mL) was heated under reflux for 10 h. The mixture was cooled to room temperature and filtered to remove the insoluble material. The filtered inorganic solid material was washed with acetone (25 mL). The washing solution was combined with the filtrate and the solvent was evaporated under reduced pressure to afford the desired product 2 (22.37 g, 75percent). LC-MS m/z: 717.40 [M + 1]+.

Reference: [1] Patent: CN103012382, 2016, B, . Location in patent: Paragraph 0015; 0026-0027
[2] Patent: CN108341804, 2018, A, . Location in patent: Paragraph 0015; 0031; 0032
[3] Patent: US2009/131680, 2009, A1, . Location in patent: Page/Page column 8
[4] Patent: WO2007/17135, 2007, A2, . Location in patent: Page/Page column 5; 21
[5] Patent: EP1816131, 2007, A1, . Location in patent: Page/Page column 11-12
[6] Patent: WO2007/48361, 2007, A1, . Location in patent: Page/Page column 9
[7] Journal of Heterocyclic Chemistry, 2008, vol. 45, # 3, p. 917 - 920
[8] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 19, p. 5895 - 5899
[9] European Journal of Medicinal Chemistry, 2011, vol. 46, # 9, p. 3564 - 3569
[10] Bioorganic and Medicinal Chemistry Letters, 2013, vol. 23, # 5, p. 1347 - 1350
[11] Patent: US5616599, 1997, A,
[12] Patent: WO2008/43996, 2008, A2, . Location in patent: Page/Page column 16
[13] Patent: WO2008/43996, 2008, A2, . Location in patent: Page/Page column 17-18
[14] Patent: WO2008/43996, 2008, A2, . Location in patent: Page/Page column 16-17; 18
[15] Patent: WO2008/43996, 2008, A2, . Location in patent: Page/Page column 18-19
[16] Patent: US2009/281327, 2009, A1, . Location in patent: Page/Page column 5
[17] Patent: WO2011/14611, 2011, A2, . Location in patent: Page/Page column 11
[18] Patent: WO2012/1694, 2012, A1, . Location in patent: Page/Page column 9-10
[19] Patent: WO2012/55994, 2012, A1, . Location in patent: Page/Page column 17
[20] Patent: CN105481842, 2016, A, . Location in patent: Paragraph 0057; 0059
[21] Patent: CN103304550, 2016, B, . Location in patent: Paragraph 0049-0050
[22] Patent: CN107311989, 2017, A, . Location in patent: Paragraph 0028; 0032; 0033
[23] Patent: CN107311990, 2017, A, . Location in patent: Paragraph 0043; 0044; 0045; 0046; 0047; 0048; 0049-0057
  • 13
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YieldReaction ConditionsOperation in experiment
89.6% With potassium phosphate In N,N-dimethyl acetamide at 60 - 65℃; for 6 h; Example 1: To the reaction portion were added 85 g of ethyl 4- (1-hydroxy-1-methylethyl) -2-propyl-imidazole-5-carboxylate (Formula 2), 4- [2- (trityltetrazol- ) Phenyl] benzyl bromide (Formula 3), 32.4 g of potassium tertiary phosphate (K3PO4) and 600 mL of N, N-dimethylacetamide were added and the mixture was stirred at a temperature of 60 to 65 DEG C for 6 hours. Then, the mixture was stirred for 1 hour while gradually adjusting the temperature to 25 to 30 . 400 mL of ethyl acetate was added to the reaction solution, and 1 L of purified water was slowly added dropwise over 30 minutes while stirring, and crystals were precipitated. The resulting crystals were stirred at 25 to 30 DEG C for 2 hours, filtered and washed with 1 L of purified water and then dried at 55 to 60 DEG C for 12 hours to obtain ethyl 4- (1-hydroxy-1-methylethyl) 226 g (yield 89.3percent, purity 99.95percent) of 1- {4- [2- (trityltetrazol-5-yl) phenyl] phenyl} -methylimidazole-5-carboxylate .
Reference: [1] Patent: KR101526249, 2015, B1, . Location in patent: Paragraph 0059; 0060; 0094
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YieldReaction ConditionsOperation in experiment
98.5%
Stage #1: With tert-butylamine hydrobromide; potassium carbonate In acetone at 0 - 55℃; for 32 h;
Stage #2: With potassium carbonate; potassium iodide In acetone at 20 - 55℃; for 3 h;
Ethyl-4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate (100 gm) was dissolved in acetone (2500 ml) and then added potassium carbonate (100 gm), 5-[4'-(bromomethyl)[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-1H-tetrazole (250 gm) and tert-butyl ammonium bromide (15 gm) under stirring at room temperature. The temperature of the reaction mass was raised to 50 to 55° C. and maintained for 15 hours at 50 to 55° C. The reaction mass was cooled to 45° C. and passed over celite bed. The collected filtrate was cooled to 0 to 5° C. and then added a solution of potassium carbonate (36 gm) in water (36 ml) for 1 hour. The temperature of the reaction mass was raised to room temperature and maintained for 16 hours at room temperature. The acetone was distilled off completely under vacuum at below 40° C. to obtain residue.
To the residue was added sodium chloride solution (10percent, 900 ml) and then added ethyl acetate (1500 ml).
The layers were separated and the aqueous layer was extracted.
Combined the both organic layers and dried over sodium sulfate.
The solvent was distilled off completely to obtain a residual mass. A mixture of acetone (1200 ml), potassium carbonate (100 gm), (4-bromoethyl)-5-methyl-oxo-1,3-dioxane (105 gm) and potassium iodide (17 gm) were added under stirring at room temperature and then the contents were heated to 50 to 55° C.
The solution was added to the above residual mass for 1 hour 30 minutes and maintained for 1 hour 30 minutes at 50 to 55° C.
The reaction mass was cooled to 45° C. and filtered.
The solvent was distilled off completely to obtain residue.
Toluene (1500 ml) was added to the residue and the layers were separated.
The toluene layer was dried over sodium sulfate and distilled off the layer under vacuum up to obtain clear residual mass.
To the residual mass was added methanol (1500 ml) and stirred for 30 minutes at room temperature.
The reaction mass was cooled to 10 to 15° C. and maintained for 1 hour 30 minutes.
The separated solid was filtered and dried at 40 to 45° C. for 7 hours to obtain 270 gm of trityl olmesartan medoxomil.
Trityl olmesartan medoxomil:
98.5percent;
Trityl olmesartan ethyl ester impurity: 0.35percent;
Bromo trityl olmesartan medoxomil impurity: 0.35percent;
Methyl trityl olmesartan medoxomil impurity: 0.34percent.
Reference: [1] Patent: US2013/190506, 2013, A1, . Location in patent: Paragraph 0050
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Reference: [1] Patent: WO2011/14611, 2011, A2,
[2] Patent: WO2012/1694, 2012, A1,
[3] Patent: WO2012/55994, 2012, A1,
[4] Patent: CN105481842, 2016, A,
[5] Patent: KR101526249, 2015, B1,
[6] Patent: KR101526249, 2015, B1,
[7] Patent: CN107311989, 2017, A,
[8] Patent: CN103012382, 2016, B,
[9] Patent: CN108341804, 2018, A,
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Reference: [1] Patent: WO2011/14611, 2011, A2, . Location in patent: Page/Page column 12; 13
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