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[ CAS No. 151982-51-3 ] {[proInfo.proName]}

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Chemical Structure| 151982-51-3
Chemical Structure| 151982-51-3
Structure of 151982-51-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 151982-51-3 ]

CAS No. :151982-51-3 MDL No. :MFCD03411584
Formula : C7H3BrClFO Boiling Point : -
Linear Structure Formula :- InChI Key :PCFIABOQFAFDAU-UHFFFAOYSA-N
M.W : 237.45 Pubchem ID :2734026
Synonyms :

Safety of [ 151982-51-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P363-P405-P501 UN#:3265
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 151982-51-3 ]

* 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 [ 151982-51-3 ]
  • Downstream synthetic route of [ 151982-51-3 ]

[ 151982-51-3 ] Synthesis Path-Upstream   1~9

  • 1
  • [ 67-56-1 ]
  • [ 151982-51-3 ]
  • [ 179232-29-2 ]
YieldReaction ConditionsOperation in experiment
12 g at 20℃; for 18 h; To a suspension of compound 5-10 (12 g, 54.79 mmol) in DCM (120 mL) was added oxalyl chloride (COCl) (10.43 g, 82.19 mmol) and two drops of DMF in a catalytic quantity at 0° C. under nitrogen atmosphere, and then the reaction solution was reacted under nitrogen atmosphere at r.t. for 3 h. Then the solvent was removed, MeOH (100 mL) was added, and the resulting reaction solution was reacted at r.t. for 18 h. After TLC indicated the reaction was complete, the reaction solution was concentrated, and the residue was dissolved in EtOAc (100 mL) and washed with saturated Na2CO3 (aq., 50 mL). The organic phase was dried over anhydrous Na2SO4, filtered, and concentrated to give purified compound 5-11 (12 g, Yield 93.97percent).
Reference: [1] Patent: US2006/194801, 2006, A1, . Location in patent: Page/Page column 42
[2] Patent: US2006/194801, 2006, A1, . Location in patent: Page/Page column 43
[3] Patent: WO2015/75025, 2015, A1, . Location in patent: Page/Page column 83
[4] Patent: WO2015/75023, 2015, A1, . Location in patent: Page/Page column 112
[5] Patent: WO2016/177690, 2016, A1, . Location in patent: Page/Page column 75
[6] Patent: US2017/313683, 2017, A1, . Location in patent: Paragraph 0306
  • 2
  • [ 151982-51-3 ]
  • [ 74-89-5 ]
  • [ 749927-69-3 ]
YieldReaction ConditionsOperation in experiment
7.6 g at 10 - 30℃; N,N-Dimethylformamide (0.5 mL, 0.006 mol) was added to the suspension of 4-bromo-2- fluorobenzoic acid (10.0 g, 0.045 mol) in dichloromethane (70 mL) at 10 to 15 °C. To the reaction mixture oxalyl chloride (8.0 mL, 0.093 mol) was added drop wise and stirred at 25- 30°C for 2 to 3 hrs. Distill off the solvents to get residue. Methyl tertiary butyl ether (100 mL) was added to the residue and cooled to 10 to 15 °C. To the obtained reaction mixture aqueous methyl amine (40percent) was added drop wise at a pH around 8 to 9. The reaction mixtures was stirred at 25-30°C for 30 min to 1 hr. Add DM water and stir for 30 min and separate the organic layer. The aqueous layer was extracted twice with Dichloromethane (2 x 100 ml) and combined organic layer washed with 5percent citric acid solution (100 mL). The organic layer was washed with 100 ml of 5percent NaHC03 solution followed by 200 ml of DM water wash. The organic layer was concentrated to obtain title product as off-white solid. Yield: 7.6gm
195 g at 30 - 35℃; for 0.25 h; 200 g of 2-fluoro-4-bromobenzoic acid was dissolved in 1400 mL of ethyl acetate at room temperature and then under nitrogen,To the mixture was added 1 g of N, N-dimethylformamide and 150 g of thionyl chloride,After the addition of the starting material, the reaction was refluxed for 4 hours and concentrated to dryness to give 230 g of crude 4-bromo-2-fluorobenzoyl chloride,Add 1000mL of ethyl acetate to dissolve,The solution was slowly added dropwise to a mixture of 800 mL of methylamine and ethyl acetate (1: 1 by volume)Temperature control at 30 ~ 35°C , continue to stir the reaction 15min, with TLC detection reaction is complete,Add 400 mL of saturated brine to the aqueous layer, add 500 mL of ethyl acetate, layer, combine the organic phase,Dried over anhydrous sodium sulfate, filtered, concentrated and dried to give 195 g of a white solid in 92percent yield.
Reference: [1] Patent: WO2011/106570, 2011, A1, . Location in patent: Page/Page column 43
[2] Patent: WO2016/5875, 2016, A1, . Location in patent: Page/Page column 14; 15
[3] Patent: CN104016924, 2016, B, . Location in patent: Paragraph 0017; 0022-0024
  • 3
  • [ 151982-51-3 ]
  • [ 114897-92-6 ]
YieldReaction ConditionsOperation in experiment
2.46 g
Stage #1: With diazomethyl-trimethyl-silane In tetrahydrofuran; diethyl ether; acetonitrile at 0 - 20℃; for 2 h;
Stage #2: With water; silver(I) acetate In tetrahydrofuran; 1,4-dioxane; diethyl ether; acetonitrile at 100℃; for 2 h;
Oxalyl chloride (3.2 mL) and DMF (one drop) were added to a suspension of 4-bromo-2-fluorobenzoic acid (4.0 g) in CHCl3 (40 mL) in an ice bath, followed by stirring at room temperature for 3 hours. After concentration, a mixture of THF and MeCN (1/1 (v/v), 40 mL) was added to the residue. TMSCH2N2 (2 mol/L Et2O solution, 18.3 mL) was added thereto at 0° C., followed by stirring at room temperature for 2 hours. After concentration, a mixture of 1,4-dioxane and water (1/1 (v/v), 60 mL) and then silver acetate (916 mg) were added thereto, followed by stirring at 100° C. for 2 hours. After concentration, a saturated aqueous NaHCO3 solution was added thereto, followed by stirring at room temperature for 1 hour. EtOAc was added thereto, and the solid was removed by filtration through Celite (registered trademark) to separate the organic layer. Under ice cooling, 3 mol/L HCl was added to the aqueous layer to make the system acidic. The aqueous layer was extracted from CHCl3 (50 ml*9). The combined organic layer was filtered through a phase separator, and the filtrate was concentrated under reduced pressure to yield the title compound (2.46 g, colorless powder). MS (ESI neg.) m/z: 231, 233 ([M-H]-).
Reference: [1] Patent: US2013/197217, 2013, A1, . Location in patent: Paragraph 0523; 0524; 0525
  • 4
  • [ 151982-51-3 ]
  • [ 18107-18-1 ]
  • [ 869569-77-7 ]
  • [ 1379358-56-1 ]
Reference: [1] Patent: US2012/245172, 2012, A1, . Location in patent: Page/Page column 74-75
  • 5
  • [ 151982-51-3 ]
  • [ 299937-74-9 ]
Reference: [1] Patent: US2015/259357, 2015, A1,
  • 6
  • [ 151982-51-3 ]
  • [ 75-65-0 ]
  • [ 889858-12-2 ]
Reference: [1] Patent: US2006/194801, 2006, A1, . Location in patent: Page/Page column 43
  • 7
  • [ 151982-51-3 ]
  • [ 1242157-14-7 ]
Reference: [1] Patent: WO2015/949, 2015, A1,
[2] Journal of Medicinal Chemistry, 2015, vol. 58, # 1, p. 512 - 516
  • 8
  • [ 151982-51-3 ]
  • [ 1242157-15-8 ]
Reference: [1] Patent: WO2015/949, 2015, A1,
[2] Journal of Medicinal Chemistry, 2015, vol. 58, # 1, p. 512 - 516
  • 9
  • [ 151982-51-3 ]
  • [ 1289942-66-0 ]
Reference: [1] Patent: WO2011/106570, 2011, A1,
[2] Patent: CN104016924, 2016, B,
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