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[ CAS No. 5333-40-4 ] {[proInfo.proName]}

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Chemical Structure| 5333-40-4
Chemical Structure| 5333-40-4
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Product Details of [ 5333-40-4 ]

CAS No. :5333-40-4 MDL No. :MFCD00021757
Formula : C12H16O3 Boiling Point : -
Linear Structure Formula :- InChI Key :MURZAHIYMVFXCF-UHFFFAOYSA-N
M.W :208.25 Pubchem ID :220116
Synonyms :

Safety of [ 5333-40-4 ]

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
GHS Pictogram:

Application In Synthesis of [ 5333-40-4 ]

* 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 [ 5333-40-4 ]

[ 5333-40-4 ] Synthesis Path-Downstream   1~51

  • 1
  • [ 67-56-1 ]
  • [ 5333-40-4 ]
  • [ 111304-01-9 ]
YieldReaction ConditionsOperation in experiment
65% With sulfuric acid for 8h; Reflux; 1.2. Synthesis of methyl 2-(2-isopropyl-5-methylphenoxy)acetate (37) 2-(2-Isopropyl-5-methylphenoxy)acetic acid (10 mmol) was dissolved in 50 mL of dried methanol, and a few drops of concentrated sulfuric acid were added. The mixture was refluxed 8 hours. Next, the solvent was evaporated, and the residue dissolved in 40 mL of ethyl acetate, washed with 0.5% NaOH and brine. The organic layer dried over anhydrous Na2SO4 and filtered. The solvent was evaporated to give the product 37.
With sulfuric acid
  • 2
  • [ 64-17-5 ]
  • [ 5333-40-4 ]
  • [ 65101-72-6 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride
  • 3
  • [ 5333-40-4 ]
  • [ 1197-37-1 ]
  • 5-ethoxy-2-(2-isopropyl-5-methyl-phenoxymethyl)-1(3)<i>H</i>-benzimidazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 140 - 150℃;
  • 4
  • [ 5333-40-4 ]
  • [ 1600-27-7 ]
  • 2-carboxymethoxy-3-isopropyl-6-methyl-phenylmercury (1+)-betaine [ No CAS ]
YieldReaction ConditionsOperation in experiment
With water at 70 - 80℃; durch Aufloesen des Reaktionsprodukts in verd. Natronlauge und Einleiten von Kohlendioxyd;
  • 5
  • [ 5333-40-4 ]
  • [ 55129-21-0 ]
YieldReaction ConditionsOperation in experiment
With lithium aluminium tetrahydride; diethyl ether
  • 6
  • [ 5333-40-4 ]
  • [ 100121-58-2 ]
YieldReaction ConditionsOperation in experiment
61.7% With PPA; phosphorus pentoxide 1) 30 min, room temperature, 2) 70 deg C, 2 h;
60% With PPA at 80℃; for 2h;
With phosphorus pentachloride; benzene Behandeln mit Aluminiumchlorid;
  • 7
  • [ 5333-40-4 ]
  • [ 31339-06-7 ]
YieldReaction ConditionsOperation in experiment
With thionyl chloride
With thionyl chloride Heating;
With thionyl chloride In tetrahydrofuran
With thionyl chloride In dichloromethane for 4h; 3 2-isopropyl-5-methylphenyl hydrogen carbonate (0.3g, 1.44mmol) was added to DCM (2ml) followed by the addition of thionyl chloride (4ml) in a round bottom flask. This solution was stirred for 4hrs, and then evaporated. The evaporated flask was then diluted with 4ml of DCM and then added to a solution of (3-amino-4- methoxyphenyl)(morpholino)methanone (0.3g, 1.45mmol) and in DCM (10ml) and triethylamine (0.8ml, 5.81mmol). NaHC03was added to quench the reaction followed by extraction with DCM (20ml x 3 times). The organic layers were collected and dried using MgSC . The mixture was filtered and concentrated in vacuo. The product was purified through column chromatography to form yellow oil (89mg, 14%)[00124]XH NMR (400MHz, CDCI3) d ppm 8.52 (s, 1H), 7.74-7.73 (s, 1H), 7.63-7.61 (d, 1H), 7.34-7.23 (m, 4H), 7.02-7.01 (t, 1H), 6.99-6.92(d, 2H), 4.56 (s, 2H), 3.60-3.566 (t, 2H), 3.42-3.39 (t, 2H), 1.99 (s, 1H), 1.92-1.87 (m, 4H), 1.23-1.19 (t, 1H)[00125]13C NMR (400MHz, CDCI3) d ppm 168.960, 166.525, 157.024, 138.026,136.948, 129.890, 129.053, 123.355, 122.432, 121.386, 118.985, 114.822, 67.556, 60.375, 49.598, 46.250, 26.383, 24.436, 21.039, 14.199

  • 8
  • [ 5333-40-4 ]
  • [ 17693-39-9 ]
YieldReaction ConditionsOperation in experiment
With sodium chlorate; hydrogen bromide; acetic acid
  • 9
  • [ 5333-40-4 ]
  • (2-isopropyl-4-iodo-5-methyl-phenoxy)-acetic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
With i-Amyl alcohol; iodine; iodic acid
  • 10
  • [ 5333-40-4 ]
  • [ 636-94-2 ]
  • [ 99-06-9 ]
  • 11
  • [ 5333-40-4 ]
  • [ 103-71-9 ]
  • (2-isopropyl-5-methyl-phenoxy)-acetic acid anilide [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 90℃;
  • 12
  • [ 89-83-8 ]
  • [ 79-11-8 ]
  • [ 5333-40-4 ]
YieldReaction ConditionsOperation in experiment
95% With sodium hydroxide at 95 - 100℃; for 0.166667h; Microwave irradiation; Green chemistry; 3.2.2. MW Method General procedure: In a 50 mL flask, 1 mmol of phenol (1-15), the appropriate amount of chloroacetic acid (16) andsodium hydroxide (potassium carbonate for nipagins) were mixed.Number of moles of chloroacetic acid (16) and NaOH (K2CO3): 1.2 mmol (0.11 g) of 16 and 2.3 mmol of base for monophenols (1-9) 2.2 mmol (0.21 g) of 16 and 3.3 mmol of base for diphenols (10-12) 3.2 mmol (0.30 g) of 16 and 4.3 mmol of base for triphenols (13-15)A flask with carefully mixed solid reagents was placed in a MW-US reactor and the contentsreacted under MW conditions characterized by the following parameters: MW = 200Wat 95-100° Cfor 10min. After the process was complete, 5 mL of water was added to dissolve of solids andconcentrated hydrochloric acid was added to the reaction mixture until an acidic pH~3 was obtained,to isolate the free products. The separated precipitate was filtered off. The main product was purifiedby crystallization or column chromatography using a mixture of chloroform and methanol (9:1 or 5:1)as an eluent.
87% Stage #1: thymol With sodium hydroxide In water monomer at 50℃; for 0.5h; Stage #2: chloroacetic acid In water monomer at 50℃; Stage #3: With sulfuric acid Phenoxy Acid Synthesis General procedure: A phenol compound (thymol, carvacrol, eugenol, vanilin) dissolved in warm waterwas added to a solution of sodium hydroxide (2.1 eq.) in warm water. After mixing for30 min at 50 C, monochloroacetic acid (2.1 eq.) was added. The obtained solution wasmixed overnight at 50 C. After cooling to room temperature, the solution was acidified topH 2 with 10% sulfuric acid. The obtained solid phenoxy acetic acid was separated witha Buchner funnel. Water from the aqueous phase was removed on a rotary evaporator,and the residue was dissolved in hot toluene and washed with water. After separationfrom the organic phase, phenoxyacetic acid was precipitated and separated with a Buchnerfunnel. The combined crude phenoxyacids were dissolved in hot toluene, and activatedcharcoal was added and mixed for 15 min at 50 C. After removing the charcoal from thehot solution, the organic phase was cooled to room temperature, and the obtained solidphenoxyacetic acid was filtrated and dried in vacuum.
50% With sodium hydroxide In water monomer for 3h; Heating;
32% With sodium hydroxide In water monomer Reflux; 3 General Procedure 3: Chloroacetic Acid Coupling General procedure: In a round bottom flask equipped with a magnetic stirrer, selected alcohol(1.1 equiv.) was dissolved in dhhO with chloroacetic acid (1 equiv.). Solid NaOH (3 equiv.) was then added to the flask and the reaction was brought to reflux. Once the reaction was deemed complete by TLC analysis, the mixture was cooled to room temperature and carefully acidified with concentrated HCI. The product was filtered off from the solvent and purified by recrystallization (Ethyl Acetate and Hexanes). The product was then characterized by NMR analysis. This compound was prepared following general procedure 3 using Thymol (34.9 g. 232.8 mmol), chloroacetic acid (20 g, 211.7 mmol), and NaOH (25.4 g, 635 mmol) in distilled H2O (75 mL).[00154] No purification was required for this reaction. Pure product, 2-(2-isopropyl-5methylphenoxy)acetic acid, a beigh powder (14.23 g, 32%, Rf= 0.57 in 3:2 EtOAc : Hexanes).1H NMR (400 MHz; CDCI3): d 7.15 (d, J = 7.7, 1H), 6.83 (d, J = 7.7, 1H), 6.58 (s, 1H), 4.70 (s, 2H), 3.36 (7, J = 6.9, 1H), 2.33 (s, 3H), 1.24 (d, J = 6.9, 6H).13C NMR: (400 MHz; CDCI3): d 174.85, 155.01, 136.91, 135.01, 126.85,123.12, 112.84, 65.63, 27.03, 23.25, 21.74
29% Stage #1: thymol; chloroacetic acid With sodium hydroxide In water monomer at 120℃; for 3h; Heating / reflux; Stage #2: In water monomer at 20℃; Acidic conditions; 7 NaOH beads (66.6 mmol) dissolved in water were added to a mixture of thymol 20 (33.3 mmol), chloroacetic acid 21 (33.3 mmol) and water. The mixture was refluxed at 120 °C for 3 h. The mixture was cooled to room temperature, acidified, extracted with diethyl ether and washed. The solvent was evaporated thus giving precipitated thymolacetic acid 22 with a yield of 29 %. Betulin 1 (7.2 mmol), thymolacetic acid 22 (7.2 mmol), and toluene (80 ml) were heated to 160 °C, followed by the addition of isopropyl titanate (1.4 mmol) to the reaction mixture. The reaction mixture was refluxed for 4.5 h untill all water was separated by the water separation tube. The mixture was cooled to room temperature and the precipitate formed was filtered. The organic phase was washed and the solvent was evaporated. The crude product was recrystallized from boiling solution of cyclohexane and toluene (3.5:1), thus giving 28-carboxymethoxythymol ester of betulin 23 (yield: 61 %) as the reaction product.
29% Stage #1: thymol; chloroacetic acid With sodium hydroxide In water monomer at 120℃; for 3h; Stage #2: In water monomer at 20℃; Acidic conditions; 7 NaOH beads (66.6 mmol), dissolved in water, were added to a mixture of thymol 20 (33.3 mmol), chloroacetic acid 21 (33.3 mmol) and water. The mixture was refluxed at 120 °C for 3 h. The mixture was cooled to room temperature, acidified, extracted with diethyl ether and washed. The solvent was evaporated thus giving precipitated thymolacetic acid 22 with a yield of 29 %. Betulin 1 (7.2 mmol), thymolacetic acid 22 (7.2 mmol), and toluene (80 ml) were heated to 160 °C, followed by the addition of isopropyl titanate (1.4 mmol) to the reaction mixture. The reaction mixture was refluxed for 4.5 h until all water was separated by water separation tube. The mixture was cooled to room temperature and the pre- cipitate formed was filtered. The organic phase was washed and the solvent was 07 Aug 200736evaporated. The crude product was recrystallized from boiling solution of cyclo- hexane and toluene (3.5:1), thus giving 28-carboxymethoxythymol ester of betulin 23 with a yield of 61 %.
11% With sodium hydroxide In water monomer at 100℃; for 2h; Inert atmosphere;
With sodium hydroxide
With sodium hydroxide
With sodium hydroxide
With sodium hydroxide for 3h; Heating;

Reference: [1]Pawełczyk, Anna; Sowa-Kasprzak, Katarzyna; Olender, Dorota; Zaprutko, Lucjusz [Molecules, 2018, vol. 23, # 9]
[2]Bojko, Barbara; Jaroch, Karol; Karolak, Maciej; Krysiński, Jerzy; Materna, Katarzyna; Pałkowski, Łukasz; Podemski, Jonasz; Skrzypczak, Andrzej; Walkiewicz, Filip; Wojcieszak, Marta [Molecules, 2022, vol. 27, # 6]
[3]Varma, Luxmi R; Narayanan, C S [Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 7, p. 676 - 680]
[4]Current Patent Assignee: CRITICAL OUTCOME TECH - WO2021/97552, 2021, A1 Location in patent: Paragraph 0097; 00110-00111; 00153-00156
[5]Current Patent Assignee: VTT TECHNICAL RESEARCH CENTRE OF FINLAND - WO2007/141389, 2007, A1 Location in patent: Page/Page column 60
[6]Current Patent Assignee: VTT TECHNICAL RESEARCH CENTRE OF FINLAND - WO2007/141383, 2007, A1 Location in patent: Page/Page column 35-36
[7]Bauer, Christoph; Byrne, Ryan; Friedrich, Lukas; Gudermann, Thomas; Mederos y Schnitzler, Michael; Schneider, Gisbert; Singh, Inderjeet; Storch, Ursula; Treder, Aaron [ChemMedChem, 2020]
[8]Steinkopf; Hoepner [Journal fur praktische Chemie (Leipzig 1954), 1926, vol. &lt;2&gt; 113, p. 156] Mameli; Gambetta; Rimini [Gazzetta Chimica Italiana, 1920, vol. 50 I, p. 183]
[9]Koelsch [Journal of the American Chemical Society, 1931, vol. 53, p. 304]
[10]Saarbach [Journal fur praktische Chemie (Leipzig 1954), 1880, vol. &lt;2&gt; 21, p. 152] Spica [Gazzetta Chimica Italiana, 1880, vol. 10, p. 345]
[11]Varma, R. Luxmi; Narayanan, C. S. [Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1985, vol. 24, p. 302 - 304]
  • 13
  • [ 5333-40-4 ]
  • [ 62-53-3 ]
  • (2-isopropyl-5-methyl-phenoxy)-acetic acid anilide [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 150℃;
  • 14
  • [ 5333-40-4 ]
  • [ 95-55-6 ]
  • 2-(2-isopropyl-5-methyl-phenoxymethyl)-benzoxazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
at 170℃;
  • 15
  • [ 5333-40-4 ]
  • [ 141-75-3 ]
  • [ 1154-97-8 ]
YieldReaction ConditionsOperation in experiment
With aluminium trichloride In carbon disulfide
  • 16
  • [ 79-08-3 ]
  • [ 5333-40-4 ]
YieldReaction ConditionsOperation in experiment
With water
  • 17
  • [ 5333-40-4 ]
  • alkali [ No CAS ]
  • [ 636-94-2 ]
  • [ 19420-59-8 ]
  • [ 99-06-9 ]
  • 18
  • [ 89-83-8 ]
  • [ 5333-40-4 ]
YieldReaction ConditionsOperation in experiment
98% With sodium hydroxide for 0.0833333h; microwave irradiation;
  • 19
  • betulin [ No CAS ]
  • [ 5333-40-4 ]
  • 28-carboxymethoxythymol ester of betulin [ No CAS ]
YieldReaction ConditionsOperation in experiment
61% In toluene at 160℃; for 4.5h; 7 NaOH beads (66.6 mmol), dissolved in water, were added to a mixture of thymol 20 (33.3 mmol), chloroacetic acid 21 (33.3 mmol) and water. The mixture was refluxed at 120 °C for 3 h. The mixture was cooled to room temperature, acidified, extracted with diethyl ether and washed. The solvent was evaporated thus giving precipitated thymolacetic acid 22 with a yield of 29 %. Betulin 1 (7.2 mmol), thymolacetic acid 22 (7.2 mmol), and toluene (80 ml) were heated to 160 °C, followed by the addition of isopropyl titanate (1.4 mmol) to the reaction mixture. The reaction mixture was refluxed for 4.5 h until all water was separated by water separation tube. The mixture was cooled to room temperature and the pre- cipitate formed was filtered. The organic phase was washed and the solvent was 07 Aug 200736evaporated. The crude product was recrystallized from boiling solution of cyclo- hexane and toluene (3.5:1), thus giving 28-carboxymethoxythymol ester of betulin 23 with a yield of 61 %.
  • 20
  • [ 473-98-3 ]
  • [ 5333-40-4 ]
  • [ 958881-78-2 ]
YieldReaction ConditionsOperation in experiment
61% In toluene at 160℃; for 4.5h; Heating / reflux; 7 NaOH beads (66.6 mmol) dissolved in water were added to a mixture of thymol 20 (33.3 mmol), chloroacetic acid 21 (33.3 mmol) and water. The mixture was refluxed at 120 °C for 3 h. The mixture was cooled to room temperature, acidified, extracted with diethyl ether and washed. The solvent was evaporated thus giving precipitated thymolacetic acid 22 with a yield of 29 %. Betulin 1 (7.2 mmol), thymolacetic acid 22 (7.2 mmol), and toluene (80 ml) were heated to 160 °C, followed by the addition of isopropyl titanate (1.4 mmol) to the reaction mixture. The reaction mixture was refluxed for 4.5 h untill all water was separated by the water separation tube. The mixture was cooled to room temperature and the precipitate formed was filtered. The organic phase was washed and the solvent was evaporated. The crude product was recrystallized from boiling solution of cyclohexane and toluene (3.5:1), thus giving 28-carboxymethoxythymol ester of betulin 23 (yield: 61 %) as the reaction product.
  • 21
  • [ 5333-40-4 ]
  • 6-Isopropyl-9-methyl-2,3,4,4a-tetrahydro-dibenzofuran [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: 60 percent / polyphosphoric acid / 2 h / 80 °C 2: 73 percent / 1M NaOMe / methanol / 6 h / Heating 3: 69 percent / 2N NaOH / methanol / 6 h / Heating 4: 82 percent / Zn/Hg, conc. HCl / toluene / 26 h / Heating
  • 22
  • [ 5333-40-4 ]
  • [ 159302-28-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 60 percent / polyphosphoric acid / 2 h / 80 °C 2: 73 percent / 1M NaOMe / methanol / 6 h / Heating 3: 69 percent / 2N NaOH / methanol / 6 h / Heating
  • 23
  • [ 5333-40-4 ]
  • [ 159302-21-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 60 percent / polyphosphoric acid / 2 h / 80 °C 2: 73 percent / 1M NaOMe / methanol / 6 h / Heating
  • 24
  • [ 5333-40-4 ]
  • [ 100289-58-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2 2: 60 percent / NEt3 / CH2Cl2 / Ambient temperature
  • 25
  • [ 5333-40-4 ]
  • [ 100289-61-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2 2: 50 percent / NEt3 / CH2Cl2 / Ambient temperature
  • 26
  • [ 5333-40-4 ]
  • [ 139213-40-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 61.2 percent / K2CO3 / acetone / 18 h / Heating
  • 27
  • [ 5333-40-4 ]
  • [ 139213-46-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 59 percent / dioxane / 7 h / Heating
  • 28
  • [ 5333-40-4 ]
  • [ 139213-43-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 61.2 percent / K2CO3 / acetone / 18 h / Heating 3: 67 percent / ethanol / Heating
  • 29
  • [ 5333-40-4 ]
  • [ 139213-48-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 59 percent / dioxane / 7 h / Heating 3: NaOAc, glacial acetic acid / 0 °C
  • 30
  • [ 5333-40-4 ]
  • [ 139213-42-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 61.2 percent / K2CO3 / acetone / 18 h / Heating 3: 61 percent / ethanol / Heating
  • 31
  • [ 5333-40-4 ]
  • [ 139213-54-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 59 percent / dioxane / 7 h / Heating 3: 80 percent / NaOAc, glacial acetic acid / 0 °C
  • 32
  • [ 5333-40-4 ]
  • [ 139213-41-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 61.2 percent / K2CO3 / acetone / 18 h / Heating 3: 73.9 percent / ethanol / 5 h / Heating
  • 33
  • [ 5333-40-4 ]
  • [ 139213-53-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 59 percent / dioxane / 7 h / Heating 3: 75 percent / NaOAc, glacial acetic acid / 0 °C
  • 34
  • [ 5333-40-4 ]
  • [ 139213-52-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 59 percent / dioxane / 7 h / Heating 3: 69 percent / NaOAc, glacial acetic acid / 0 °C
  • 35
  • [ 5333-40-4 ]
  • [ 139213-45-9 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 61.2 percent / K2CO3 / acetone / 18 h / Heating 3: 58 percent / ethanol / Heating
  • 36
  • [ 5333-40-4 ]
  • [ 139213-44-8 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 61.2 percent / K2CO3 / acetone / 18 h / Heating 3: 63 percent / ethanol / Heating
  • 37
  • [ 5333-40-4 ]
  • [ 139213-49-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 59 percent / dioxane / 7 h / Heating 3: 60 percent / NaOAc, glacial acetic acid / 0 °C
  • 38
  • [ 5333-40-4 ]
  • [ 139213-51-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 59 percent / dioxane / 7 h / Heating 3: 72 percent / NaOAc, glacial acetic acid / 0 °C
  • 39
  • [ 5333-40-4 ]
  • [ 139213-50-6 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: 61.7 percent / polyphosphoric acid, P2O5 / 1) 30 min, room temperature, 2) 70 deg C, 2 h 2: 59 percent / dioxane / 7 h / Heating 3: 64 percent / NaOAc, glacial acetic acid / 0 °C
  • 40
  • [ 5333-40-4 ]
  • 7-isopropyl-4-methyl-benzofuran-3-ol [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2 2: aluminium chloride; carbon disulfide
  • 41
  • [ 5333-40-4 ]
  • [ 100883-66-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: SOCl2 2: aluminium chloride; carbon disulfide
  • 42
  • [ 5333-40-4 ]
  • [ 111719-46-1 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: SOCl2 2: aluminium chloride; carbon disulfide 3: ethanol; aq. NaOH solution
  • 43
  • [ 5333-40-4 ]
  • (2-isopropyl-5-methyl-phenoxy)-acetic acid-(2-hydroxy-ethylamide) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: concentrated sulfuric acid 2: 100 - 150 °C
  • 44
  • [ 5333-40-4 ]
  • [ 97282-07-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2 / Heating 2: diethyl ether
  • 45
  • [ 5333-40-4 ]
  • [ 97804-99-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2 / Heating 2: diethyl ether
  • 46
  • [ 5333-40-4 ]
  • 2-Dichloracetamino-1-(4-nitro-phenyl)-3-<(5-methyl-2-isopropyl-phenoxy)-acetoxy>-propanol-(1) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: SOCl2 / tetrahydrofuran 2: Py / dioxane
  • 47
  • [ 5333-40-4 ]
  • [ 89-83-8 ]
YieldReaction ConditionsOperation in experiment
99% Stage #1: 2-isopropyl-5-methylphenoxyacetic acid With triethylamine In N,N-dimethyl-formamide; toluene for 3h; Heating; Stage #2: With potassium hydroxide; glycerol In ethanol; N,N-dimethyl-formamide; toluene for 2h; Heating; Further stages.;
  • 49
  • [ 5333-40-4 ]
  • benzyl (2S,3AS,6AS)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride [ No CAS ]
  • benzyl (2S,3aS,6aS)-1-(2-(2-isopropyl-5-methylphenoxy)acetyl)octahydrocyclopenta[b]pyrrole-2-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
46% Stage #1: 2-isopropyl-5-methylphenoxyacetic acid; benzyl (2S,3AS,6AS)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride With benzotriazol-1-ol; triethylamine In dichloromethane at 0 - 25℃; for 0.25h; Inert atmosphere; Stage #2: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0 - 20℃; for 12.5h; Inert atmosphere;
  • 50
  • [ 5333-40-4 ]
  • C11H15FO [ No CAS ]
YieldReaction ConditionsOperation in experiment
51 %Spectr. With triethylamine pentahydrogen fluoride salt; 2,4,6-trimethyl-pyridine In dichloromethane at 20℃; Electrochemical reaction;
  • 51
  • [ 5333-40-4 ]
  • C24H30N2O5 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: thionyl chloride / dichloromethane / 4 h 2: triethylamine / dichloromethane
Same Skeleton Products
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