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Chemical Structure| 99548-54-6
Chemical Structure| 99548-54-6
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Product Details of [ 99548-54-6 ]

CAS No. :99548-54-6 MDL No. :MFCD09031772
Formula : C9H9BrO2 Boiling Point : -
Linear Structure Formula :- InChI Key :MKQQTCSBXHAYQL-UHFFFAOYSA-N
M.W : 229.07 Pubchem ID :12929135
Synonyms :

Calculated chemistry of [ 99548-54-6 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 50.39
TPSA : 26.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.46
Log Po/w (XLOGP3) : 2.83
Log Po/w (WLOGP) : 2.54
Log Po/w (MLOGP) : 2.97
Log Po/w (SILICOS-IT) : 2.84
Consensus Log Po/w : 2.73

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.28
Solubility : 0.12 mg/ml ; 0.000523 mol/l
Class : Soluble
Log S (Ali) : -3.04
Solubility : 0.209 mg/ml ; 0.000912 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.72
Solubility : 0.0436 mg/ml ; 0.000191 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.63

Safety of [ 99548-54-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 99548-54-6 ]

* 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 [ 99548-54-6 ]
  • Downstream synthetic route of [ 99548-54-6 ]

[ 99548-54-6 ] Synthesis Path-Upstream   1~22

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Reference: [1] Journal of Medicinal Chemistry, 2006, vol. 49, # 4, p. 1408 - 1412
[2] Patent: WO2011/134468, 2011, A1, . Location in patent: Page/Page column 56
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Reference: [1] Journal of Medicinal Chemistry, 2010, vol. 53, # 16, p. 6112 - 6121
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YieldReaction ConditionsOperation in experiment
88%
Stage #1: With lithium aluminium tetrahydride In tetrahydrofuran for 2 h; Inert atmosphere; Cooling with ice
Stage #2: With Glauber's salt In tetrahydrofuran at 20℃; for 2 h;
Example 110 methyl { (3S) -6- [ (3-bromo-2-methylbenzyl) amino] -2, 3-dihydro-l- benzofuran-3-yl } acetate; [0990][0991]Methyl 3-bromo-2-methylbenzoate (2.29 g, 10.0 mmol) was dissolved in tetrahydrofuran (50 mL) , under ice-cooling, lithium aluminum hydride (0.285 g, 7.50 mmol) was added by small portions, and the mixture was stirred under a nitrogen atmosphere for 2 hr. Sodium sulfate 10 hydrate (2.42 g, 7.50 mmol) was added to the reaction mixture, and the mixture was stirred at room temperature for 2 hr. Insoluble material was filtered off through celite, and the filtrate was concentrated under reduced pressure. The obtained solid was recrystallized from heptane-ethyl acetate to give 3-bromo-2-methylbenzyl alcohol (1.76 g, yield 88percent) as colorless crystals. This product (0.943 g, 4.69 mmol) was dissolved in acetonitrile (25 mL) , a Dess-Martin reagent (2.39 g, 5.63 mmol) was added by small portions under ice-cooling, and the mixture was stirred at room temperature for 0.5 hr. The reaction mixture was treated with saturated aqueous sodium hydrogen carbonate and aqueous sodium thiosulfate solution, and the mixture was extracted with ethyl acetate. The extract was washed with saturated brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure. A solution of the obtained colorless oil, methyl [ (3S) -6-amino-2, 3-dihydro-l- benzofuran-3-yl] acetate (0.972 g, 4.69 mmol) and acetic acid(0.537 mL, 9.38 mmol) in acetonitrile (25 mL) was stirred under a nitrogen atmosphere at room temperature for 0.5 hr. Sodium triacetoxyborohydride (1.99 g, 9.38 mmol) was added to the reaction mixture, and the mixture was further stirred for 12 hr. The reaction mixture was treated with water and saturated aqueous ammonium chloride solution, and extracted with ethyl acetate. The extract was washed successively with saturated aqueous sodium hydrogen carbonate and saturated brine, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (ethyl acetate rhexane = 5:95-40:60) to give the title compound (1.59 g, yield 87percent, 2 steps) as a colorless oil.1H NMR (300 MHz, CDCl3) δ 2.42 (3H, s) , 2.48-2.59 (IH, m) , 2.68-2.78 (IH, m) , 3.68-3.83 (4H, m) , 3.89 (IH, br s) , 4.18- 4.30 (3H, m) , 4.71 (IH, t, J = 9.1 Hz), 6.07-6.16 (2H, m) , 6.93 (IH, d, J = 8.0 Hz), 7.01 (IH, t, J = 7.9 Hz), 7.23-7.30(IH, m) , 7.49 (IH, dd, J = 7.9, 1.1 Hz). MS m/z 390 (M + H)+.
84.3% With sodium tetrahydroborate In ethanol at 0℃; Reflux The methyl 2-methyl-3-bromobenzoate (10 g, 43.6 mmol) was dissolved in 100 mL of absolute ethanol in an ice-water bath,After stirring, sodium borohydride (4.1 g, 10.8 mmol) was added in portions,The reaction was stirred for 1h at 0 .Remove the ice bath, heat to reflux,The reaction was carried out overnight in the reflux state.TLC shows the reaction is complete, cooled, The solvent was removed by concentration under reduced pressure,To the residue was added 50 mL of acetone, concentrated under reduced pressure to remove acetone,To the residue was added 50 mL of saturated potassium carbonate solution,The mixture was stirred at 100 ° C for 1 hour,Extracted with 50 mL x 2 chloroform,The organic phase was dried over anhydrous magnesium sulfate, filtered,The organic phase was concentrated under reduced pressure, dried,2-methyl-3-bromobenzyl alcohol (7.39 g, yield: 84.3percent);
Reference: [1] Patent: WO2010/143733, 2010, A1, . Location in patent: Page/Page column 347-348
[2] Patent: CN106432214, 2017, A, . Location in patent: Paragraph 0023; 0024
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YieldReaction ConditionsOperation in experiment
100% With sodium hydrogencarbonate In ethyl acetate; N,N-dimethyl-formamide Methyl 3-bromo-2-methylbenzoate
A mixture of 3-bromo-2-methylbenzoic acid (16 g, 74.4 mmol), sodium bicarbonate (12.5 g, 148.8 nimol) and iodomethane (21.2 g, 148.8 mmol) in DMF (160 mL) was heated at 60° C. for 2 hours.
The mixture was cooled to room temperature and poured into ice water (400 mL).
The mixture was extracted with ethyl acetate (4*100 mL).
The EtOAc solution was washed with water (3*100 mL), brine (100 mL) and dried (MgSO4).
Solvent was removed to give methyl 3-bromo-2-methylbenzoate (17.6 g, 100percent) as an oil: 1H NMR (CDCl3) δ7.70 (t, J=7.6 Hz, 2H), 7.08 (t, J=7.9 Hz, 1H), 3.90 (s, 3H), 2.67 (s, 3H).
85% With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 3 h; A solution of 3-bromo-2-methylbenzoic acid (2.98 g, 13.9 mmol) in DMF (20 mL) was treated with cesium carbonate (4.56 g, 13.9 mmol) and iodomethane (0.900 mL, 14.4 mmol).
The reaction mixture was stirred at room temperature for 3 hours.
The solution was poured into ethyl acetate and washed with water (3*) and brine.
The ethyl acetate layer was concentrated under vacuum to give methyl 3-bromo-2-methylbenzoate (Cpd FF, 2.70 g, 85percent yield) as a clear oil.
Reference: [1] Patent: US2003/96841, 2003, A1,
[2] Patent: US2014/179667, 2014, A1, . Location in patent: Paragraph 0802; 0803
[3] Patent: WO2008/65199, 2008, A1, . Location in patent: Page/Page column 74
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YieldReaction ConditionsOperation in experiment
99% at 70℃; for 1.5 h; To a mixture of 3-bromo-2-methylbenzoic acid (5.0 g, 23 mmol) in MeOH (80 mL) was added 50C12 (11.0 g, 93 mmol) at 20°C. The mixture was stirred for 1.5h at 70°C. Thevolatiles were removed and the residue was taken up by EtOAc (100 mL), which was washed sequentially with saturated NaHCO3 and brine (each 100 mL). The EtOAc layer was dried over Na2504, concentrated and the residue was purified by flash column chromatography to give methyl 3-bromo-2-methylbenzoate (5.3g, 99percent yield) as a red solid.
98% at 20 - 90℃; for 4 h; 3-bromo-2-methylbenzoic acid (6.13 g, 28.5 mmol) was suspended in MeOH (52 ml) and concentrated H2SO4 (10.0 ml) was added via syringe over 4 minutes at room temperature. The reaction was heated to 90 C, stirred for 4 hours, cooled in an ice water bath, and then quenched with saturated NaHCO3 (250 ml). The reaction was extracted with EtOAc (3 x 50 ml), and the organic layers were combined, dried over MgSO4, filtered, and concentrated to give methyl 3-bromo-2-methylbenzoate (6.43 g, 98percent).Methyl 3-bromo-2-methylbenzoate (7.45 g, 32.5 mmol) was dissolved in CCl4 (94 ml) and N- bromosuccinimide (6.67 g, 37.5 mmol) and benzoyl peroxide (0.38 g, 1.6 mmol) were added. The reaction was heated to 75 C - 85 C, stirred for 3 hours and 45 minutes, cooled to room temperature, and filtered. The filtrate was concentrated and purified on SiO2 (Biotage instrument; 0percent -> 20percent EtOAc / hexanes) to give methyl 3-bromo-2-(bromomethyl)benzoate (10.07 g, 100percent).Methyl 3-bromo-2-(bromomethyl)benzoate (10.30 g, 33.44 mmol) was dissolved in THF (93 ml) and cooled in an ice water bath. Then, ΝH3 (60 ml, ~ 7N in MeOH) was added via syringe over 4.5 minutes. The reaction was warmed to room temperature, stirred for 7.5 hours, and then diluted with water. The aqueous phase was extracted repeatedly with CH2Cl2 and EtOAc. The organic extracts were combined, dried over sodium sulfate, filtered, and concentrated to give title compound (6.99 g, EPO <DP n="38"/>99percent) as a white powder. MS (ESI pos. ion) m/z: 212.0 (M+H). Calc'd Exact Mass for C8H6BrNO: 211.
96% Reflux 2-methyl-3-bromobenzoic acid (10 g, 46.7 mmol) was added to 150 mL of methanol,Stir,0.5 mL of concentrated sulfuric acid was added dropwise at room temperature,Heated to reflux overnight.TLC shows the reaction is complete, cooled,The reaction solution PH to neutral,The methanol was removed by concentration under reduced pressure,To the residue was added 100 mL of ethyl acetate,Washed with water, concentrated under reduced pressure, organic, dried,2-methyl-3-bromobenzoic acid methyl ester 10.2 g (yield: 96percent);
95% at 20℃; Heating / reflux Step 1:
methyl 3-bromo-2-methylbenzoate
Concentrated sulfuric acid (1 mL) was added to a solution of 3-bromo-2-methylbenzoic acid (27.9 mmol) in MeOH (60 mL) at rt.
The reaction mixture was allowed to stir at reflux overnight and then concentrated to ~half volume.
The solution was diluted with diethyl ether and washed with saturated NaHCO3 and brine.
The organic solution was dried over Na2SO4, filtered and concentrated to give methyl 3-bromo-2-methylbenzoate (27 mmol, 95percent) as an oil which was used without further purification.
94% at 70℃; To a solution of 3-bromo-2-methylbenzoic acid II-l (10 g, 47 mmol) in 150 mL of MeOH was added concentrated H2SO4 (10 mL) dropwise. The mixture was stirred at 70C overnight. The solvent was evaporated and the remaining mixture was adjusted to pH 9 by adding saturated NaHC0 solution. The mixture was extracted with ethyl acetate. The organic layers were dried over Na2S04, filtered and concentrated. The residue was purified by column chromatography (petroleum ether : ethyl acetate = 150 : 1) to give the product as a yellow oil (10.1 g, 94percent). 1H NMR (400 MHz, CDC1 ) _ 7.72 (d, J= 8.0 Hz, 1H), 7.69 (d, J = 8.0 Hz, 1H), 7.09 (t, J= 8.0 Hz, 7.6Hz, 1H), 3.90 (s, 3H), 2.63 (s, 3H).
88% for 12 h; Heating / reflux Example 1: Synthesis of 5-methyldibenzo[crfl/]indol-4(5//)-one; <Step 1>; 3-Bromo-2-methylbenzoic acid (5.0 g, 23.3 mmol) was dissolved in 50 mi of methanol, and sulfuric acid (1.5 ml) was slowly added thereto. The resulting mixture was refluxed for 12 hours and cooled to room temperature. Methanol was removed under a reduced pressure, diethyl ether was added to the resulting mixture, and the resulting organic layer was sequentially washed with saturated sodium bicarbonate, water and saturated sodium solution. The organic layer was then dried over anhydrous magnesium sulfate, and the solvent was removed under a reduced pressure to obtain methyl 3-bromo-2- methylbenzoate (4.67 g (88percent)). <n="14"/>1H NMR (300 MHz, CDCl3) δ 7.59 (d, IH, J = 7.8 Hz), 7.54 (dd, IH, J = 7.9, 0.9 Hz), 6.94 (t, IH5 J= 7.9 Hz), 3.77 (s, 3H), 2.50 (s, 3H).
1.1 g at 110℃; for 0.166667 h; Microwave irradiation (1) Synthesis of methyl 3-bromo-2-methylbenzoate [104-1] (hereinafter referred to as a compound [104-1]) 3-Bromo-2-methylbenzoic acid (1.08 g) was dissolved in methanol (16 mL), and to the solution was added concentrated sulfuric acid (1.6 mL) at room temperature, and the mixture was subjected to microwave irradiation at 110°C for 10 minutes. The reaction mixture was cooled by ice, added an aqueous solution of 5N-sodium hydroxide, and the mixture was extracted with ethyl acetate. The obtained organic layer was sequentially washed with water and brine, dried over anhydrous sodium sulfate, filtered, and the filtrate was concentrated under reduced pressure to give the titled compound (1.10 g) as a yellow oil. 1H-NMR (400 MHz, CDCl3) δ: 7.74-7.68 (2H, m), 7.10 (1H, t, J = 7.8 Hz), 3.91 (3H, s), 2.63 (3H, s).
10.9 g at 60℃; for 1.5 h; Inert atmosphere Step 1: Preparation of methyl 3-bromo-2-methylbenzoate (2) To a solution of 3-bromo-2-methylbenzoic acid 1 (10.8 g, 0.05 mol) in MeOH (92 mL) was added conc. H2SO4 (17.6 mL, 0.32 mol) dropwise at room temperature. The resulting mixture was then stirred at 60° C. for 1.5 hours, then poured into saturated NaHCO3 (500 mL) slowly, extracted with EtOAc (3×300 mL), dried over anhydrous Na2SO4, filtered, and concentrated in vacuo to give the title product 2 (10.9 g) as a pale brown oil. 1H NMR (400 MHz, CDCl3) δ 7.71-7.68 (m, 2H), 7.11-7.07 (t, J=7.1 Hz, 1H), 3.90 (s, 3H), 2.63 (s, 3H). [M+H]+: 229.

Reference: [1] Patent: WO2017/84630, 2017, A1, . Location in patent: Paragraph 00545
[2] Patent: WO2018/149419, 2018, A1, . Location in patent: Paragraph 00576
[3] Patent: WO2007/5668, 2007, A2, . Location in patent: Page/Page column 36
[4] Journal of Medicinal Chemistry, 2010, vol. 53, # 16, p. 6112 - 6121
[5] Patent: CN106432214, 2017, A, . Location in patent: Paragraph 0023
[6] Patent: US2008/171754, 2008, A1, . Location in patent: Page/Page column 103-104
[7] Journal of Medicinal Chemistry, 2006, vol. 49, # 4, p. 1408 - 1412
[8] Patent: WO2018/26971, 2018, A1, . Location in patent: Page/Page column 23
[9] Patent: WO2009/51417, 2009, A2, . Location in patent: Page/Page column 8; 12-13
[10] Patent: US2007/49555, 2007, A1, . Location in patent: Page/Page column 94
[11] Bioorganic and Medicinal Chemistry, 2008, vol. 16, # 6, p. 3091 - 3107
[12] Patent: WO2009/58237, 2009, A1, . Location in patent: Page/Page column 26
[13] Patent: US2005/26976, 2005, A1, . Location in patent: Page/Page column 11
[14] Patent: US2012/35196, 2012, A1, . Location in patent: Page/Page column 19-20
[15] Patent: WO2011/134468, 2011, A1, . Location in patent: Page/Page column 56
[16] Patent: EP2878594, 2015, A1, . Location in patent: Paragraph 0849-0851
[17] Patent: US2016/311772, 2016, A1, . Location in patent: Paragraph 0637-0639
[18] Patent: WO2008/106619, 2008, A2, . Location in patent: Page/Page column 580
[19] Patent: WO2004/108672, 2004, A1, . Location in patent: Page 22
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YieldReaction ConditionsOperation in experiment
957 mg With triethylamine In dichloromethane at 20℃; Cooling with ice To an ice-cooled solution of Compound I (1.0 g) in methylene chloride (9.0mL) were added dropwise DMF (20 μL) and thionyl chloride (480 μL), and then the mixture was stirred at room temperature for 3 hours, and the reaction mixture was concentrated under reduced pressure. The resulting residue was dissolved in methylene chloride (9.3 mL), and the mixture was ice-cooled, and then thereto were added dropwise triethylamine (1.3 mL) and methanol (4.6 mL). The mixture was stirred at room temperature overnight, and then the reaction mixture was concentrated under reduced pressure. To the residue was added water, and then the mixture was extracted with ethyl acetate. The organic layer was washed with brine, and then dried over sodium sulfate and concentrated under reduced pressure. The residue was purified by silica gel column chromatography (eluent: hexane/ethyl acetate = 100/0 to 85/15) to give Compound II (957 mg).
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 17, p. 4505 - 4509
[2] Patent: EP2612848, 2013, A1, . Location in patent: Paragraph 0311; 0312; 0313
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YieldReaction ConditionsOperation in experiment
29% With potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃; for 2 h; A 60: 40 mixture of 5-bromo-2-methyl benzoic acid and 3-bromo-2-methyl benzoic acid (8.0 g, 0.037 mol) was dissolved in N,N'-dimethylformamide (130 mL). Methyl iodide (2.28 mL, 2.3 mol) and potassium carbonate (5.11 g, 0.037 mol) were added in sequence at room temperature. The mixture was stirred at room temperature for 2 hours at which point the reaction was determined to be complete by HPLC. The solvent was removed under high vacuum and the resulting residue was passed through a silica gel column using 5percent ethyl acetate in hexanes as the eluent. The mixture of isomers was obtained as an oil and then separated by preparative normal phase HPLC using 0.5percent isopropyl alcohol in hexanes as the eluent. The title compound was obtained as a white solid (1.38 g, 29percent). 1H NMR (300.132 MHz, CDC13) 8 8.04 (d, J= 2.2 Hz, 1H), 7.50 (dd, J= 8.2, 2.2 Hz, 1H), 7.12 (d, J= 8.2 Hz, 1H), 3.89 (s, 3H), 2.54 (s, 3H).
Reference: [1] Patent: WO2005/100351, 2005, A1, . Location in patent: Page/Page column 13; 16-17
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Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 17, p. 4505 - 4509
[2] Patent: US6518257, 2003, B1,
[3] Patent: EP2612848, 2013, A1,
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Reference: [1] Journal of Medicinal Chemistry, 2009, vol. 52, # 23, p. 7432 - 7445
[2] Patent: US2008/318973, 2008, A1, . Location in patent: Page/Page column 46
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Reference: [1] Patent: US2007/203116, 2007, A1, . Location in patent: Page/Page column 8; 10
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Reference: [1] Journal of Organic Chemistry, 2008, vol. 73, # 5, p. 1732 - 1744
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Reference: [1] Arkivoc, 2011, vol. 2011, # 6, p. 29 - 44
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YieldReaction ConditionsOperation in experiment
29% With potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃; for 2 h; A 60: 40 mixture of 5-bromo-2-methyl benzoic acid and 3-bromo-2-methyl benzoic acid (8.0 g, 0.037 mol) was dissolved in N,N'-dimethylformamide (130 mL). Methyl iodide (2.28 mL, 2.3 mol) and potassium carbonate (5.11 g, 0.037 mol) were added in sequence at room temperature. The mixture was stirred at room temperature for 2 hours at which point the reaction was determined to be complete by HPLC. The solvent was removed under high vacuum and the resulting residue was passed through a silica gel column using 5percent ethyl acetate in hexanes as the eluent. The mixture of isomers was obtained as an oil and then separated by preparative normal phase HPLC using 0.5percent isopropyl alcohol in hexanes as the eluent. The title compound was obtained as a white solid (1.38 g, 29percent). 1H NMR (300.132 MHz, CDC13) 8 8.04 (d, J= 2.2 Hz, 1H), 7.50 (dd, J= 8.2, 2.2 Hz, 1H), 7.12 (d, J= 8.2 Hz, 1H), 3.89 (s, 3H), 2.54 (s, 3H).
Reference: [1] Patent: WO2005/100351, 2005, A1, . Location in patent: Page/Page column 13; 16-17
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Reference: [1] Patent: US2007/203116, 2007, A1, . Location in patent: Page/Page column 8; 10
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Reference: [1] Journal of Organic Chemistry, 2008, vol. 73, # 5, p. 1732 - 1744
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Reference: [1] Arkivoc, 2011, vol. 2011, # 6, p. 29 - 44
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Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 17, p. 4505 - 4509
[2] Patent: US2016/311772, 2016, A1,
[3] Patent: WO2004/108672, 2004, A1,
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Reference: [1] Patent: WO2004/108672, 2004, A1, . Location in patent: Page 52; 53
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Reference: [1] Patent: US2007/203116, 2007, A1, . Location in patent: Page/Page column 8; 10
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Reference: [1] Patent: WO2004/108672, 2004, A1,
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Reference: [1] Patent: US2005/26976, 2005, A1, . Location in patent: Page/Page column 29
[2] Patent: WO2004/108672, 2004, A1, . Location in patent: Page 63; 64
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Reference: [1] Patent: EP2011788, 2009, A1, . Location in patent: Page/Page column 19
[2] Patent: US2012/35196, 2012, A1, . Location in patent: Page/Page column 21
[3] Patent: US2018/65917, 2018, A1, . Location in patent: Paragraph 0199
[4] Patent: WO2018/26971, 2018, A1, . Location in patent: Page/Page column 23
[5] Patent: EP2216330, 2010, A1, . Location in patent: Page/Page column 25
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Methyl 4-bromo-3-(bromomethyl)benzoate

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2-Bromo-6-(methoxycarbonyl)benzoic acid

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Methyl 2,5-dibromobenzoate

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Esters

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2-Bromo-6-(methoxycarbonyl)benzoic acid

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