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[ CAS No. 73713-79-8 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 73713-79-8
Chemical Structure| 73713-79-8
Chemical Structure| 73713-79-8
Structure of 73713-79-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 73713-79-8 ]

CAS No. :73713-79-8 MDL No. :MFCD00068049
Formula : C6H3ClN2O2S2 Boiling Point : -
Linear Structure Formula :- InChI Key :CXAICGCTHOWKPP-UHFFFAOYSA-N
M.W : 234.68 Pubchem ID :2735459
Synonyms :

Safety of [ 73713-79-8 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 73713-79-8 ]

* 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 [ 73713-79-8 ]

[ 73713-79-8 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 4943-86-6 ]
  • [ 73713-79-8 ]
  • N-(4-Chlorophenyl)-2-(2,1,3-benzothiadiazole-4-sulfonylamino)-benzamide [ No CAS ]
  • 2
  • [ 2475-81-2 ]
  • [ 73713-79-8 ]
  • [ 791098-86-7 ]
YieldReaction ConditionsOperation in experiment
87% A. 2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-fluorobenzoic acid methyl ester. 4-Chlorosulfonyl-2,1,3-benzothiadiazole (1.40 g, 5.94 mmol) was added to a solution of 2-amino-4-fluorobenzoic acid methyl ester (0.67 g, 4.0 mmol) and pyridine (0.64 mL, 7.9 mmol) in DCM. (5 mL). After standing overnight at room temperature the reaction mixture was quenched with 1 N HCl and diluted with H2O. The aqueous layer was extracted with DCM (3*). The combined organic layers were dried over MgSO4, filtered, concentrated, and purified by silica gel chromatography (hexanes/EtOAc) to provide the title compound (1.26 g, 87%). TLC (silica, 50% EtOAc/hexanes): Rf=0.47. MS (ESI): mass calculated for C14H10FN3O4S2, 367.01; m/z found, 366/367/368 [M-H]-. HPLC (reverse phase): RT=9.52 min. 1H NMR (500 MHz, CDCl3): 11.50 (s, 1H), 8.40 (dd, J=7.1, 1.0 Hz, 1H), 8.23 (d, J=8.3 Hz, 1H), 7.89 (dd, J=8.9, 6.4 Hz, 1H), 7.73 (dd, J=8.8, 7.1 Hz, 1H), 7.47 (dd, J=11.1, 2.5 Hz, 1H), 6.67-6.63 (m, 1H), 3.92 (s, 3H).
  • 4
  • [ 144550-76-5 ]
  • [ 73713-79-8 ]
  • 2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodo-benzoic acid methyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
68% A. 2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-iodobenzoic acid methyl ester. To a solution of <strong>[144550-76-5]methyl 2-amino-4-iodobenzoate</strong> (EXAMPLE 4, Step B, 1.6 g, 5.8 mmol) in DCM (45 mL) at room temperature was added 4-chlorosulfonyl-2,1,3-benzothiadiazole (1.76 g, 7.51 mmol), and pyridine (0.93 mL, 11 mmol). The mixture was stirred at room temperature overnight, poured into 1 N HCl (200 mL), and extracted with DCM (2*100 mL). The combined organic layers were dried (Na2SO4) and concentrated in vacuo. The crude residue was purified by flash chromatography (hexanes/EtOAc) to afford the title sulfonamide as a tan solid (1.87 g, 68%). MS (ESI): calculated for C14H10IN3O4S2, 474.9; m/z found, 474 [M-H]-. 1H NMR (400 MHz, CDCl3): 11.26 (br s, 1H), 8.40 (dd, J=7.0, 1.0 Hz, 1H), 8.24 (dd, J=8.8, 1.0 Hz, 1H), 8.12 (d, J=1.5 Hz, 1H), 7.74 (dd, J=8.8, 7.0 Hz, 1H), 7.53 (d, J=8.5 Hz, 1H), 7.32 (dd, J=8.5, 1.5 Hz, 1H), 3.91 (s, 3H).
  • 5
  • [ 159847-83-3 ]
  • [ 73713-79-8 ]
  • [ 844647-97-8 ]
YieldReaction ConditionsOperation in experiment
59% 4-Chlorosulfonyl-2,1,3-benzothiadiazole (1.99 g, 8.51 mmol) was added to a solution of 2-amino-4-cyanobenzoic acid methyl ester (1.00 g, 5.68 mmol) and pyridine (0.92 mL, 11 mmol) in DCM (10 mL). After standing overnight at room temperature the reaction mixture was acidified with 1 N HCl and diluted with H2O. The aqueous layer was extracted with DCM (3×). The combined organic layers were dried over MgSO4, filtered, concentrated, and purified by flash chromatography (hexanes/EtOAc) to provide the title compound (1.25 g, 59%). TLC (silica, 50% EtOAc/hexanes): Rf=0.40. MS (ESI): mass calculated for C15H10N4O4S2, 374.0; m/z found, 373 [M-H]-. HPLC (reverse phase): RT=9.11 min. 1H NMR (500 MHz, CDCl3): 11.35 (s, 1H), 8.43 (dd, J=7.1, 1.0 Hz, 1H), 8.26 (dd, J=8.8, 1.0 Hz, 1H), 8.06 (d, J=1.5 Hz, 1H), 7.98 (d, J=8.2 Hz, 1H), 7.76 (dd, J=8.8, 7.1 Hz, 1H), 7.23 (dd, J=8.2, 1.5 Hz, 1H), 3.97 (s, 3H).
  • 6
  • [ 61500-87-6 ]
  • [ 73713-79-8 ]
  • [ 791098-82-3 ]
YieldReaction ConditionsOperation in experiment
62% C. 2-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-4-trifluoromethylbenzoic acid methyl ester. 4-Chlorosulfonyl-2,1,3-benzothiadiazole (1.77 g, 7.52 mmol) was added to a solution of 2-amino-4-trifluoromethylbenzoic acid methyl ester (1.50 g, 6.84 mmol) and pyridine (1.10 mL, 13.7 mmol) in DCM (10 mL). After standing overnight at room temperature, the reaction mixture was quenched with 1 N HCl and diluted with H2O. The aqueous layer was extracted with DCM (3*). The combined organic layers were dried over MgSO4, filtered, concentrated, and purified by flash chromatography (hexanes/EtOAc) to provide the title compound (1.78 g, 62%). TLC (silica, 50% EtOAc/hexanes): Rf=0.47. MS (ESI): mass calculated for C15H10F3N3O4S2, 417.01; m/z found, 415.9/416.9/417.9 [M-H]-. HPLC (reverse phase): RT=9.95 min. 1H NMR (500 MHz, CDCl3): 11.33 (s, 1H), 8.41 (dd, J=7.1, 1.0 Hz, 1H), 8.23 (dd, J=8.9, 1.0 Hz, 1H), 8.04 (s, 1H), 7.98 (d, J=8.2 Hz, 1H), 7.72 (dd, J=8.8, 7.1 Hz, 1H), 7.20 (dd, J=8.3, 1.1 Hz, 1H), 3.96 (s, 3H).
  • 7
  • [ 21597-54-6 ]
  • [ 73713-79-8 ]
  • [ 791098-76-5 ]
YieldReaction ConditionsOperation in experiment
65% With pyridine; In dichloromethane; for 16h; B. 3-(Benzo[1,2,5]thiadiazole-4-sulfonylamino)-naphthalene-2-carboxylic acid methyl ester Benzo[1,2,5]thiadiazole-4-sulfonyl chloride (2.62 g, 11.1 mmol) was added to solution of 3-aminonaphthalene-2-carboxylic acid methyl ester (1.5 g, 7.5 mmol) and pyridine (1.21 mL, 15 mmol) in DCM (20 mL). After 16 h, the reaction mixture was washed with 1 N HCl and dried (MgSO4). Purification on silica gel (MPLC, hexanes/EtOAc) provided the title compound as a yellow solid (1.91 g, 4.86 mmol, 65%). MS (ESI): neg. ion m/z 398 [M-H]-. HPLC (reversed-phase): RT=9.97 min). 1H NMR (500 MHz, CDCl3): 8.43 (s, 1H), 8.40 (dd, J=7.1, 1.0 Hz, 1H), 8.15 (dd, J=8.8, 1.0 Hz, 1H), 8.07 (s, 1H), 7.72 (bd, J=9.2 Hz, 2H), 7.64 (dd, J=8.8, 7.7 Hz, 1H), 7.52 (m, 1H), 7.38 (m, 1H), 3.97 (s, 3H).
  • 8
  • [ 6153-39-5 ]
  • [ 73713-79-8 ]
  • [ 197959-86-7 ]
YieldReaction ConditionsOperation in experiment
79% In diethyl ether; dichloromethane; sodium hydrogencarbonate; ethyl acetate; a 3-(Benzo-2,1,3-thiadiazole-4-sulfonyloxy)-5-methylphenol <strong>[6153-39-5]Orcinol monohydrate</strong> (1.42 g, 10.0 mmol) and benzo-2,1,3-thiadiazole-4-sulfonyl chloride (2.35 g, 10.0 mmol) were mixed in saturated aqueous NaHCO3 (30 mL) and diethyl ether (30 mL). The biphasic mixture was stirred vigorously at ambient temperature overnight. The reaction mixture was diluted with water (50 mL) and extracted into ethyl acetate (3*50 mL). The organic phase was washed with brine (2*50 mL) and dried over Na2 SO4. After removing the solvent in vacuo, the residue was purified by flash column chromatography (dichloromethane to 5% ethyl acetate in dichloromethane) to give the title compound as a pale yellow solid (2.55 g, 79%). 1 H-NMR (300 MHz, CDCl3) delta 8.34 (d, J=8.8 Hz, 1H), 8.26 (d, J=7.1 Hz, 1H), 7.72 (t, J=8.8 Hz, 1H), 6.53 (s, 1H), 6.47 (s, 1H), 6.37 (s, 1H), 5.24 (s, 1H), 2.19 (s, 1H).
  • 9
  • [ 504-15-4 ]
  • [ 73713-79-8 ]
  • [ 197959-86-7 ]
YieldReaction ConditionsOperation in experiment
79% With sodium hydrogencarbonate In diethyl ether; water at 20℃; 11.a a) a) 3-(Benzo-2,1,3-thiadiazole-4-sulfonyloxy)-5-methylphenol Orcinol monohydrate (1.42 g, 10.0 mmol) and benzo-2,1,3-thiadiazole-4-sulfonyl chloride (2.35 g, 10.0 mmol) were mixed in saturated aqueous NaHCO3 (30 mL) and diethyl ether (30 mL). The biphasic mixture was stirred vigorously at ambient temperature overnight. The reaction mixture was diluted with water (50 mL) and extracted into ethyl acetate (3 x 50 mL). The organic phase was washed with brine (2 x 50 mL) and dried over Na2SO4. After removing the solvent in vacuo, the residue was purified by flash column chromatography (dichloromethane to 5% ethyl acetate in dichloromethane) to give the title compound as a pale yellow solid (2.55 g, 79%). 1H-NMR (300 MHz, CDCl3) δ 8.34 (d, J = 8.8 Hz, 1H), 8.26 (d, J = 7.1 Hz, 1H), 7.72 (t, J = 8.8 Hz, 1H), 6.53 (s, 1H), 6.47 (s, 1H), 6.37 (s, 1H), 5.24 (s, 1H), 2.19 (s, 3H).
  • 10
  • [ 73713-79-8 ]
  • [ 185629-32-7 ]
  • C14H10FN3O4S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With pyridine; at 50℃; General procedure: To a solution of the corresponding methyl 4-aminobenzoate (1, 2.5 mmol) in 20 mL of DCM was added pyridine (600 mg, 7.5 mmol) and benzo[c][l,2,5]thiadiazole-4-sulfonyl chloride (585 mg, 2.5 mmol). The resulting mixture was stirred at 50C overnight. After removal of DCM, the residue was partitioned between water and EtOAc. The organic layer was washed with 2 N HC1, water and brine, dried over Na2S04 and concentrated to give crude product 2, which was confirmed by LCMS, and used in the next reaction without further purification
With pyridine; In dichloromethane; at 50℃; General procedure: To a solution of the corresponding methyl 4-aminobenzoate (1, 2.5 mmol) in 20 mL of DCM was added pyridine (600 mg, 7.5 mmol) and benzo[c][1,2,5]thiadiazole-4-sulfonyl chloride (585 mg, 2.5 mmol). The resulting mixture was stirred at 50 C. overnight. After removal of DCM, the residue was partitioned between water and EtOAc. The organic layer was washed with 2 N HCl, water and brine, dried over Na2SO4 and concentrated to give crude product 2, which was confirmed by LCMS, and used in the next reaction without further purification.
With pyridine; at 50℃; General procedure: To a solution of the corresponding methyl 4-aminobenzoate (1, 2.5 mmol) in 20 mL of DCM was added pyridine (600 mg, 7.5 mmol) and benzo[c][l,2,5]thiadiazole-4-sulfonyl chloride (585 mg, 2.5 mmol). The resulting mixture was stirred at 50C overnight. After removal of DCM, the residue was partitioned between water and EtOAc. The organic layer was washed with 2 N HC1, water and brine, dried over Na2S04 and concentrated to give crude product 2, which was confirmed by LCMS, and used in the next reaction without further purification
  • 11
  • [ 13676-47-6 ]
  • [ 73713-79-8 ]
  • N-(4-(5-(benzo[c][1,2,5]thiadiazole-4-sulfonamido)benzo[d]oxazol-2-yl)phenyl)benzo[c][1,2,5]thiadiazole-4-sulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
95% With pyridine; In dichloromethane; at 20℃; for 18h; General procedure: To a stirring mixture of 5-amino-2-(4-aminophenyl) benzoxazole (1 eq.) in anhydrous CH2Cl2 (5 mL) was added the respective sulfonyl chloride (2.1 eq.) followed by anhydrous pyridine (2.1 eq.). The reaction was allowed to stir at room temperature for 18 h and was then chromatographed over silica and concentrated. If necessary, the product was further purified by preparatory RP-HPLC (H2O:CH3CN gradient), concentrated, and lyophilized.
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