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[ CAS No. 59813-89-7 ] {[proInfo.proName]}

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Chemical Structure| 59813-89-7
Chemical Structure| 59813-89-7
Structure of 59813-89-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 59813-89-7 ]

CAS No. :59813-89-7 MDL No. :MFCD00656934
Formula : C9H10N2S2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 210.32 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 59813-89-7 ]

* 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 [ 59813-89-7 ]

[ 59813-89-7 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 59813-89-7 ]
  • [ 121-60-8 ]
  • [ 857951-93-0 ]
YieldReaction ConditionsOperation in experiment
With sodium hydrogencarbonate; acetone
  • 2
  • [ 65611-80-5 ]
  • [ 59813-89-7 ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride; tin(ll) chloride
With hydrogenchloride; iron
  • 3
  • [ 59813-89-7 ]
  • [ 621-82-9 ]
  • [ 93317-12-5 ]
YieldReaction ConditionsOperation in experiment
(i) NaNO2, aq. HCl, H2O, (ii) /BRN= 507757/, NaOAc, CuCl2, acetone; Multistep reaction;
  • 4
  • [ 7442-07-1 ]
  • [ 75-03-6 ]
  • [ 59813-89-7 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide
YieldReaction ConditionsOperation in experiment
6-Amino-2-merkaptobenzothiazol, Alkylhalogenid;
entspr. 2-Mercaptobenzothiazol, C2H5J;
  • 6
  • [ 59813-89-7 ]
  • sulfanilic acid-(2-ethylmercapto-benzothiazol-6-ylamide) [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: acetone; NaHCO3 2: aqueous HCl
  • 7
  • [ 73713-87-8 ]
  • [ 59813-89-7 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: ethanol 2: SnCl2; aqueous HCl
  • 8
  • [ 59813-89-7 ]
  • [ 96004-28-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: (i) NaNO2, aq. HCl, H2O, (ii) /BRN= 507757/, NaOAc, CuCl2, acetone 2: (i) (heating), (ii) /BRN= 168150/, Ac2O, Et3N
  • 9
  • [ 7442-07-1 ]
  • [ 59813-89-7 ]
YieldReaction ConditionsOperation in experiment
With sodium hydride In tetrahydrofuran at 20℃; for 24h; Synthesis of 2-ALKYLSULFANYL-BENZOTHIAZOL-6-YL-AMINE To a solution of 6-amino-2-merceptobenzothiazole (273mg, 1.5 MMOL) in anhydrous THF (10 mL) was added NaH (60% dispersion, 1.5 mmol), followed by alkyl halide (1.5 MMOL). The mixture was stirred at rt for 24h, partitioned between ethyl acetate and 5% sodium bicarbonate. The organic phase was washed with brine, dried over sodium sulphate and concentrated in vacuo to a yellow solid, which was purified with recrystallization or flash chromatography. (Yield 60-90%). The following amines were synthesized with the method described above: 2-Ethylsulfanylbenzothiazol-6-ylamine Yellow crystalline solid. mp 77-78°C (lit. 77°C). TLC single spot at Rf 0.78 (8% methanol/DCM) ;'H NMR (270 MHz, DMSO): 5 7.50 (1H, d, J = 8.5 Hz, 4-H), 6.98 (1H, d, J = 2.2 Hz, 7-H), 6.69 (1 H, dd, J = 8. 5,2. 2 Hz, 5-H), 5.33 (2H, broad, NH2), 3.23 (2H, q, J = 7.3 Hz, SCH2), 1.35 (3H, t, J = 7. 3 Hz, CH3). (Francolor, S. A.; US 2500093; 1945)
  • 10
  • [ 59813-89-7 ]
  • [ 80563-86-6 ]
  • [ 686746-64-5 ]
YieldReaction ConditionsOperation in experiment
55% Stage #1: 3-chloro-2-methylbenzenesulfonyl chloride With pyridine In dichloromethane at 20℃; for 0.166667h; Stage #2: 6-amino-2-ethylthiobenzothiazole In dichloromethane at 20℃; for 4 - 16h; To a solution arylsulphonyl chloride (1.1 eq. ) in DCM (5-10 mL) were added pyridine (2.2 eq. ) and catalytic amount of DMAP. The solution was stirred at room temperature under nitrogen for 10 minutes. Then the amine (1 eq. ) was added and the reaction mixture was stirred at room temperature under nitrogen for 4-16 hrs. The resulting mixture was partitioned between DCM and 5% sodium bicarbonate. The organic layer was washed with brine, dried over MGSO4, and concentrated to give a yellow residue. The crude compound was then purified by flash chromatography to give desired BENZENESULPHONAMIDE as crystalline solid. (Yield 40-90%).; 3-CHLORO-N- (2-ETHYLSULFANYLBENZOTHIAZOL-6-YL)-2-METHYLBENZENESULPHONAMIDE (STX751, XDS01141) Off-white solid (220 mg; 55%). TLC single spot at Rf: 0.83 (17% EtOAc/DCM); HPLC purity 96% (tR 1.9 min in methanol) ;'HNMR (400MHZ, DMSO-d6) 5 10.8 (1H, s, NH), 7.89 (1H, dd, J = 8.0, 1.0 Hz, 6'-H of benzene), 7.71 (1H, d, J = 8 Hz, 4-H of benzothiazole), 7.70 (1H, d, J = 2 Hz, 7-H of benzothiazole), 7.70 (1H, dd, J = 8.0, 1.0 Hz, 4'-H of benzene), 7.36 (1H, t, J = 8 Hz, 5'-H of benzene), 7.15 (1H, dd, J = 8.0, 2.0 Hz, 5-H of benzothiazole), 3.30 (2H, q, J = 7.0 Hz, SCH2), 2.66 (3H, s, CH3), 1.38 (3H, t, J = 7.0 Hz, CH3) ; APCI-MS 397.99 (M) + ; FAB-HRMS CA) CD for C16H16CIN202S3 (MH+) 399.0062, found 399.0048.
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