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[ CAS No. 7031-27-8 ] {[proInfo.proName]}

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Chemical Structure| 7031-27-8
Chemical Structure| 7031-27-8
Structure of 7031-27-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 7031-27-8 ]

CAS No. :7031-27-8 MDL No. :MFCD00054471
Formula : C8H7ClOS Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 186.65 Pubchem ID :-
Synonyms :

Safety of [ 7031-27-8 ]

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

Application In Synthesis of [ 7031-27-8 ]

* 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 [ 7031-27-8 ]

[ 7031-27-8 ] Synthesis Path-Downstream   1~20

  • 1
  • [ 103-04-8 ]
  • [ 7031-27-8 ]
Reference: [1]Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry,1998,vol. 37,p. 1114 - 1119
[2]Synthesis,1985,p. 276 - 279
[3]Journal of the Chemical Society. Perkin transactions I,1991,p. 2499 - 2504
[4]Tetrahedron,1987,vol. 43,p. 2045 - 2058
[5]Journal of Medicinal Chemistry,1986,vol. 29,p. 2465 - 2472
[6]Journal of medicinal chemistry,1971,vol. 14,p. 1004 - 1005
[7]Journal of Medicinal Chemistry,1993,vol. 36,p. 3397 - 3408
[8]Journal of Medicinal Chemistry,1993,vol. 36,p. 3224 - 3229
[9]Il Farmaco,1997,vol. 52,p. 685 - 689
[10]Acta Crystallographica, Section C: Crystal Structure Communications,1998,vol. 54,p. 488 - 489
[11]Bioorganic and Medicinal Chemistry,2000,vol. 8,p. 2317 - 2335
[12]Il Farmaco,2001,vol. 56,p. 169 - 174
[13]Chemical and Pharmaceutical Bulletin,2001,vol. 49,p. 1132 - 1137
[14]Journal of the American Chemical Society,2001,vol. 123,p. 4966 - 4973
[15]European Journal of Medicinal Chemistry,2007,vol. 42,p. 1293 - 1299
[16]Russian Chemical Bulletin,2007,vol. 56,p. 130 - 136
[17]Australian Journal of Chemistry,2008,vol. 61,p. 881 - 887
[18]ChemMedChem,2014,vol. 9,p. 657 - 664
[19]Journal of Medicinal Chemistry,2014,vol. 57,p. 2380 - 2392
[20]Angewandte Chemie - International Edition,2015,vol. 54,p. 8791 - 8794
    Angew. Chem.,2015,vol. 127,p. 8915 - 8918,4
[21]Chemistry - A European Journal,2014,vol. 20,p. 13984 - 13992
[22]New Journal of Chemistry,2016,vol. 40,p. 6200 - 6213
[23]Patent: JP2016/17040,2016,A .Location in patent: Paragraph 0025; 0028
[24]Journal of the American Chemical Society,2016,vol. 138,p. 12219 - 12227
[25]Bioorganic and Medicinal Chemistry,2017,vol. 25,p. 6267 - 6272
[26]Chemical Communications,2020,vol. 56,p. 5649 - 5652
[27]Chemistry - A European Journal,2020,vol. 26,p. 10712 - 10718
  • 2
  • [ 7031-27-8 ]
  • [ 364-62-5 ]
  • [ 65569-59-7 ]
YieldReaction ConditionsOperation in experiment
44.6% With triethylamine In toluene for 6h; Heating;
  • 3
  • [ 7031-27-8 ]
  • [ 137469-70-6 ]
  • [ 137469-79-5 ]
YieldReaction ConditionsOperation in experiment
93% With triethylamine In dichloromethane for 1h; Ambient temperature;
  • 4
  • [ 7031-27-8 ]
  • [ 71-43-2 ]
  • [ 130-03-0 ]
  • [ 16222-10-9 ]
  • 5
  • [ 7031-27-8 ]
  • [ 108-16-7 ]
  • [ 35859-03-1 ]
  • 7
  • [ 7031-27-8 ]
  • [ 130-03-0 ]
YieldReaction ConditionsOperation in experiment
63% With indium(III) tosylate; In dodecane; nitromethane; for 2h;Schlenk technique; Reflux; General procedure: Into a Schlenk flask were introduced 20 mL of nitromethane,2 mmol of 1,3-dimethoxybenzene, 10 mol % of catalyst and4 mmol of acetyl chloride, with 0.5 mmol of dodecane for GC monitoring. The solutions were heated at reflux. The reactionswere followed by gas chromatography, by analysis of aliquots.The products were obtained after extraction by diethyl ether andpurification by column chromatography. All products are knowncompounds.
  • 8
  • [ 7031-27-8 ]
  • [ 129-44-2 ]
  • <i>N</i>-[9,10-dioxo-5-(2-phenylsulfanyl-acetylamino)-9,10-dihydro-anthracen-1-yl]-2-phenylsulfanyl-acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
70% With pyridine In N,N-dimethyl-formamide at 20℃; for 24h;
  • 9
  • [ 7031-27-8 ]
  • [ 865706-98-5 ]
  • [ 865706-99-6 ]
YieldReaction ConditionsOperation in experiment
49% Stage #1: (phenylthio)acetic acid chloride; methyl (E)-2-amino-2-(hydroxyimino)acetate In tetrahydrofuran at 20℃; for 1h; Stage #2: In 1,4-dioxane Heating / reflux; 82.2 300 mg (2.54 mmol) of amino-hydroxyimino-acetic acid methyl ester and 428 mg (2.29 mmol, 0.9 eq) of phenylsulfanyl-acetyl chloride were stirred in 10 mL of THF at RT for 1 hour. The solvent was evaporated, the residue dissolved in dioxane, and the reaction mixture was heated at reflux over night in the presence of molecular sieves. Filtration, concentration under vacuum and column chromatography over silica gel with EtOAc/heptane 1: 1 yielded 310 mg (49%) of 5-phenylsulfanylmethyl- [1, 2,4] oxadiazole-3- carboxylic acid methyl ester as light yellow oil, MS: 268 (MNH4+).
  • 10
  • [ 26214-65-3 ]
  • [ 7031-27-8 ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-hydroxymethyl-2-oxazolidinone [ No CAS ]
  • [ 38870-89-2 ]
  • [ 2251-50-5 ]
  • [ 39637-99-5 ]
  • [ 10313-60-7 ]
  • [ 4023-34-1 ]
  • [ 53064-54-3 ]
  • [ 5538-51-2 ]
  • [ 157373-08-5 ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-(2-methoxyacetyloxy)methyl-2-oxazolidinone [ No CAS ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-(cyclopropanecarbonyloxy)methyl-2-oxazolidinone [ No CAS ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-(furan-3-carbonyloxy)methyl-2-oxazolidinone [ No CAS ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-(isoxazole-3-carbonyloxy)methyl-2-oxazolidinone [ No CAS ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-(2-(phenylthio)acetyloxy)methyl-2-oxazolidinone [ No CAS ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-(3,4-dimethoxybenzoyloxy)methyl-2-oxazolidinone [ No CAS ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-(2-acetoxybenzoyloxy)methyl-2-oxazolidinone [ No CAS ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-((S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyloxy)methyl-2-oxazolidinone [ No CAS ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-(2,3,4-trifluorobenzoyloxy)methyl-2-oxazolidinone [ No CAS ]
  • (S)-3-(2,5-dimethoxyphenacyl)-5-(perfluorobenzoyloxy)methyl-2-oxazolidinone [ No CAS ]
YieldReaction ConditionsOperation in experiment
In pyridine; dichloromethane at 20℃; Combinatorial reaction / High throughput screening (HTS); 3 To about 295 mg (1.0 mmoles) of (S)-3- (2,5-dimethocyphenacyl) -5- hydroxymethyl-2-oxazolidinone in dry CH2Cl2 (8 mL CH2Cl2), 1.0 equiv. (1.1 mmoles) of pyridine was added and the reaction mixture stirred at room temperature. To this reaction mixture was added 1.0 equiv. of a mixture of ten different acetyl chlorides. The reaction was stirred overnight at room temperature. Afterwards, TLC of an aliquot indicated that complete conversion of the (S)-3- (2,5-dimethocyphenacyl) -5- hydroxymethyl-2-oxazolidinone to (S)-3- (2,5- dimethocyphenacyl)-5- (substituted methyl) -2- oxazolidinone had occurred. Therefore, about 3 mL of 20% NH4Cl was added to the reaction mixture and the organic layer removed and saved. The aqueous layer was extracted two times with 40 mL aliquots of CH2Cl2. The CH2Cl2 extracts were combined with the saved organic layer and the mixture dried with 2.5 g anhydrous Na2SO4. The mixture was then concentrated in vacuo to provide a crude product. The crude product was analyzed by 1H-NMR, 13C NMR, HPLC, and TLC using a EtOAc: hexane (2: 1) solvent system. An HPLC profile of the (S)-3- (2,5- dimethocyphenacyl)-5- (substituted methyl) -2- oxazolidinone products made is shown in Figure 3. The products represented by the peaks in the HPLC are shown in Figure 4. This example illustrates the principle of the present invention. As shown by this example, providing n=10 acetyl halides in a single reaction produces 10 (S)-3- (2,5-dimethocyphenacyl) -5- (substituted methyl) -2-oxazolidinone products. If n=10 aryl bromides had been used as well to arylate the N at the 3-position, the process would have generated 100 (S)-3- (substituted)-5- (substituted methyl) -2-oxazolidinone products.
  • 12
  • [ 7031-27-8 ]
  • [ 3177-80-8 ]
  • [ 1265087-51-1 ]
YieldReaction ConditionsOperation in experiment
85% General procedure: A mixture of substituted anthranilic acids 4a-f (30 mmol), NaOH (60 mmol) and phenylthioacetyl chloride (30 mmol) in H2O (20 mL) was stirred at 0 C for 1 h, and then at rt for 2 h. The mixture was acidified with 5% HCl (pH 4-5) and then extracted with EtOAc (2 × 500 mL). The combined organic layer was dried over Na2SO4, filtered, and solvent was evaporated in vacuo. The residue obtained was recrystallized using EtOAc/hexane (3:1) to give compounds 6a-f as white solids.
  • 13
  • [ 7031-27-8 ]
  • [ 6388-47-2 ]
  • [ 1265087-56-6 ]
YieldReaction ConditionsOperation in experiment
86% General procedure: A mixture of substituted anthranilic acids 4a-f (30 mmol), NaOH (60 mmol) and phenylthioacetyl chloride (30 mmol) in H2O (20 mL) was stirred at 0 C for 1 h, and then at rt for 2 h. The mixture was acidified with 5% HCl (pH 4-5) and then extracted with EtOAc (2 × 500 mL). The combined organic layer was dried over Na2SO4, filtered, and solvent was evaporated in vacuo. The residue obtained was recrystallized using EtOAc/hexane (3:1) to give compounds 6a-f as white solids.
  • 14
  • [ 7031-27-8 ]
  • [ 53600-33-2 ]
  • [ 1265087-47-5 ]
YieldReaction ConditionsOperation in experiment
67% General procedure: A mixture of substituted anthranilic acids 4a-f (30 mmol), NaOH (60 mmol) and phenylthioacetyl chloride (30 mmol) in H2O (20 mL) was stirred at 0 C for 1 h, and then at rt for 2 h. The mixture was acidified with 5% HCl (pH 4-5) and then extracted with EtOAc (2 × 500 mL). The combined organic layer was dried over Na2SO4, filtered, and solvent was evaporated in vacuo. The residue obtained was recrystallized using EtOAc/hexane (3:1) to give compounds 6a-f as white solids.
  • 15
  • [ 7031-27-8 ]
  • [ 2148-56-3 ]
  • [ 1265087-53-3 ]
YieldReaction ConditionsOperation in experiment
82% General procedure: A mixture of substituted anthranilic acids 4a-f (30 mmol), NaOH (60 mmol) and phenylthioacetyl chloride (30 mmol) in H2O (20 mL) was stirred at 0 C for 1 h, and then at rt for 2 h. The mixture was acidified with 5% HCl (pH 4-5) and then extracted with EtOAc (2 × 500 mL). The combined organic layer was dried over Na2SO4, filtered, and solvent was evaporated in vacuo. The residue obtained was recrystallized using EtOAc/hexane (3:1) to give compounds 6a-f as white solids.
  • 16
  • [ 7031-27-8 ]
  • [ 5653-40-7 ]
  • [ 693234-26-3 ]
YieldReaction ConditionsOperation in experiment
79.75% With pyridine at 20℃; for 3h; General Procedure for the Synthesis of 2-(2-(Benzyloxy orPhenylthio) acetamido)-4,5-dimethoxybenzoic Acid (4-5) General procedure: 2-(Benzyloxy or phenylthio) acetyl chlorides (2-3) (0.05mol) were added to a solution of anthranilic acid (1) (0.05mol) in pyridine (50 mL) and the reaction mixture wasstirred at room temperature for 3 h. The mixture was thenpoured into 10% cold dilute hydrochloric acid solution (50mL). The solid obtained was then filtered followed by washingseveral times with cold water. The product 2-(2-(benzyloxy or phenylthio) acetamido)-4,5-dimethoxybenzoicacids (4-5) was dried and crystallized from absolute ethanol.
  • 17
  • [ 7031-27-8 ]
  • [ 1446-61-3 ]
  • C28H37NOS [ No CAS ]
YieldReaction ConditionsOperation in experiment
91% With triethylamine; In dichloromethane; at 0 - 23℃; To a solution of <strong>[1446-61-3](+)-dehydroabietylamine</strong>(1.0mmol) and triethylamine (3.0 mmol) in CH2Cl2 (5 mL), a solution of the corresponding acyl chloride (1.10 mmol) in CH2Cl2 (5 mL) was slowly added dropwise via syringe at 0 C. Theresulting reaction mixture was allowed to be warmed and was stirred at 23 C for 1-12 hr based on the reaction?s progress (TLC, MS) before it was quenche dwith an aqueous NH4Cl solution (10 mL). The organic phase was separated and the aqueous phase was extracted with CH2Cl2 (5mL x 3). The combined organic phase was dried over MgSO4 and concentrated under reduced pressure. The resulting crude product was purified via flash columnchromatography (SiO2; isocratic eluent: 20% EtOAc in petroleum ether) to provide the amide product.
  • 18
  • [ 7031-27-8 ]
  • [ 1219025-18-9 ]
  • [ 1809609-55-9 ]
YieldReaction ConditionsOperation in experiment
With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere;
  • 19
  • [ 7031-27-8 ]
  • [ 29909-46-4 ]
  • S-3-(2,8,9-trioxa-5-aza-1-sila-bicyclo[3.3.3]undecan-1-yl)propyl 2-(phenylthio)ethanethioate [ No CAS ]
YieldReaction ConditionsOperation in experiment
82% Stage #1: (phenylthio)acetic acid chloride With triethylamine In chloroform at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 1-(γ-mercaptopropyl)silatrane In chloroform for 4h; Inert atmosphere; Reflux;
  • 20
  • [ 17647-70-0 ]
  • [ 7031-27-8 ]
  • N-(4-methyl-1,2,5-oxadiazol-3-yl)-2-(phenylthio)acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
243 g In dichloromethane Reflux; General procedure: To a solution of phosphorus pentachloride (0.126 g, 0.610 mmol) in dichloromethane (11 mL), phenoxyacetic acid (0.092 g, 0.610 mmol) was added with stirring and the mixture refluxed for 30-40 minutes. After cooling, 4-methyl-1,2,5-oxadiazol-3-amine (0.060 g, 0.610 mmol) was added and the solution refluxed for 2-2.5 hours. The solvent was removed under reduced pressure and the residue quenched with water (50 mL). The solid was collected by vacuum filtration and washed with saturated sodium bicarbonate solution followed by water to afford compound 19 (0.103 g, 73%)
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