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[ CAS No. 113583-35-0 ]

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2D
Chemical Structure| 113583-35-0
Chemical Structure| 113583-35-0
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Product Details of [ 113583-35-0 ]

CAS No. :113583-35-0MDL No. :MFCD00672151
Formula : C7H10N2O4S Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :218.23Pubchem ID :838363
Synonyms :

Computed Properties of [ 113583-35-0 ]

TPSA : 86.8 H-Bond Acceptor Count : 6
XLogP3 : 0.4 H-Bond Donor Count : 0
SP3 : 0.43 Rotatable Bond Count : 3

Safety of [ 113583-35-0 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 113583-35-0 ]

  • Upstream synthesis route of [ 113583-35-0 ]
  • Downstream synthetic route of [ 113583-35-0 ]

[ 113583-35-0 ] Synthesis Path-Upstream   1~7

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YieldReaction ConditionsOperation in experiment
84.5% With sodium tungstate; dihydrogen peroxide; acetic acid In water at 40℃; Example 10: Preparation of 4, 6-dimethoxy-2-(methylsulfonyl) pyrimidine To 200ml acetic acid was added 3mpercent sodium tungstate. To this, 1.0m 2-methylthio-4,6- dimethoxypyrimidine was added to obtain a mass (clear solution). The mass was heated to 40°C. To the heated mass 2.1m 30percent H202 was added in 4-8 hours and stirred at 40°c for 3-5 hours. Further, 0.05m 30 percent H202 was added and stirred at 40°C till complete conversion. Reaction was carried out at 40°c. Reaction mixture was cooled and solids were filtered. The obtained cake was washed with aqueous acetic acid followed by water. The cake was then dried. Yield = 83percent. The filtrate was extracted with ethylene dichloride. The obtained ethylene dichloride layer was concentrated, wt = 42g, yield of product was about 1-1.5percent.
Reference: [1] Asian Journal of Chemistry, 2014, vol. 26, # 1, p. 313 - 314
[2] Journal of Agricultural and Food Chemistry, 2018, vol. 66, # 15, p. 3773 - 3782
[3] Pesticide Science, 1996, vol. 47, # 2, p. 115 - 124
[4] Patent: WO2014/128719, 2014, A2, . Location in patent: Page/Page column 17
[5] Journal of Labelled Compounds and Radiopharmaceuticals, 2006, vol. 49, # 4, p. 339 - 343
[6] Chemical and Pharmaceutical Bulletin, 1991, vol. 39, # 9, p. 2288 - 2300
[7] Pest Management Science, 2001, vol. 57, # 3, p. 205 - 224
[8] Journal of Medicinal Chemistry, 2004, vol. 47, # 11, p. 2776 - 2795
[9] Journal of Mass Spectrometry, 2007, vol. 42, # 11, p. 1514 - 1521
[10] Bioorganic and Medicinal Chemistry Letters, 2008, vol. 18, # 15, p. 4409 - 4412
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  • [ 90905-46-7 ]
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Reference: [1] Patent: US5149357, 1992, A,
  • 3
  • [ 6299-25-8 ]
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Reference: [1] Journal of Mass Spectrometry, 2007, vol. 42, # 11, p. 1514 - 1521
[2] Journal of Medicinal Chemistry, 2004, vol. 47, # 11, p. 2776 - 2795
[3] Pest Management Science, 2001, vol. 57, # 3, p. 205 - 224
[4] Patent: WO2014/128719, 2014, A2,
  • 4
  • [ 20277-69-4 ]
  • [ 13223-25-1 ]
  • [ 113583-35-0 ]
Reference: [1] Tetrahedron, 2000, vol. 56, # 27, p. 4739 - 4745
  • 5
  • [ 1979-98-2 ]
  • [ 113583-35-0 ]
Reference: [1] Pest Management Science, 2001, vol. 57, # 3, p. 205 - 224
[2] Patent: WO2014/128719, 2014, A2,
  • 6
  • [ 303-07-1 ]
  • [ 113583-35-0 ]
  • [ 125401-75-4 ]
YieldReaction ConditionsOperation in experiment
85% With tetrabutylammomium bromide; potassium carbonate In tolueneReflux 0.04 mol of 2,6-dihydroxybenzoic acid was weighed separately,0.05 mol of 2-methanesulfonyl-4,6-dimethoxypyrimidine,0.004 mol of tetrabutylammonium bromide,0.08 mol of potassium carbonate was placed in a reaction vessel,Add 300mL toluene heated reflux reaction 8 ~ 1 Oh,The reaction is cooled and filtered,The filter cake was washed with toluene,dry,The resulting solid was mixed with 500 mL of water,Stir,Dropping 30percent HC1 to the system PH = 3 ~ 4,filter,dry,Was gray and solidbodyBispyribac15.7g,Purity 97percentYield 85percent.
83%
Stage #1: With sodium hydride In N,N-dimethyl acetamide; toluene; paraffin oil at 100℃; for 5 h;
Stage #2: at 20℃; for 1 h;
Into a 500 ml four-necked flask equipped with a stirrer, a reflux condenser, a thermometer and a dropping funnel, 60percent sodium hydride (dispersed in liquid paraffin; 6.2 g, 0.155 mol) and Toluene (300 ml) was charged. Subsequently, a solution of 2,6-dihydroxybenzoic acid (7.7 g, 0.05 mol) dissolved in N, N-dimethylacetamide (DMAC; 10 ml) was slowly added dropwise thereto. While stirring the mixture at room temperature, 4,6-dimethoxy-2-methylsulfonylpyrimidine (21.8 g, 0.1 mol) was added in portions. Thereafter, the mixture was stirred at 100 ° C. for 5 hours. As a result, a reaction mixture containing sodium 2,6-bis (4,6-dimethoxypyrimidin-2-yloxy) benzoate was obtained. A small amount of the reaction mixture was sampled, acidified and analyzed by HPLC. The components other than solvent etc. in the reaction mixture were as follows. 82percent of 2- (4,6-dimethoxypyrimidin-2-yloxy) benzoic acid (target product), 2- (4,6- dimethoxypyrimidin-2-yloxy) -6-hydroxybenzoic acid: 2 percent, 4,6-dimethoxy-2-methylsulfonylpyrimidine (raw material): 8percent, 4,6-dimethoxy-2-hydroxypyrimidine (by- product): 3percent. After the reaction mixture was cooled to room temperature, a small amount of methanol was added thereto, and the mixture was stirred at room temperature for 1 hour. The mixture was poured into water and the resulting mixture was partitioned between organic and aqueous layers. The organic layer and the aqueous layer were separated, and an aqueous layer was obtained. Dilute hydrochloric acid was added to the obtained aqueous layer until the pH became 4. Precipitated crystals were collected by filtration, washed with water and dried to obtain 2, 6-bis (4,6-dimethoxypyrimidin-2-yloxy) benzoic acid (17.8 g) as white crystals. Yield: 83percent.
Reference: [1] Patent: CN106083738, 2016, A, . Location in patent: Paragraph 0019; 0020
[2] Patent: JP2018/48180, 2018, A, . Location in patent: Paragraph 0053-0054; 0055; 0058-0059; 0060-0061; 0067
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  • [ 125401-75-4 ]
Reference: [1] Patent: US4906285, 1990, A,
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