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[ CAS No. 119256-40-5 ]

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2D
Chemical Structure| 119256-40-5
Chemical Structure| 119256-40-5
Structure of 119256-40-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 119256-40-5 ]

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Related Doc. of [ 119256-40-5 ]

SDS

Product Details of [ 119256-40-5 ]

CAS No. :119256-40-5MDL No. :MFCD00276099
Formula :C7H4F2N2SBoiling Point :-
Linear Structure Formula :-InChI Key :DDKKXSCVPKDRRS-UHFFFAOYSA-N
M.W :186.18Pubchem ID :737406
Synonyms :

Computed Properties of [ 119256-40-5 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 119256-40-5 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 119256-40-5 ]

  • Downstream synthetic route of [ 119256-40-5 ]

[ 119256-40-5 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 119256-40-5 ]
  • [ 329915-02-8 ]
  • (2R,4R)-5,7-Difluoro-4-methanesulfonyl-2-trifluoromethyl-3,4-dihydro-2H-9-thia-1,4a-diaza-fluoren-2-ol [ No CAS ]
  • 2
  • [ 119256-40-5 ]
  • [ 202074-35-9 ]
  • (Z)-4-(4,6-Difluoro-benzothiazol-2-ylamino)-1,1,1-trifluoro-but-3-en-2-one [ No CAS ]
  • (E)-4-(4,6-Difluoro-benzothiazol-2-ylamino)-1,1,1-trifluoro-but-3-en-2-one [ No CAS ]
  • (2S,4S)-4-Benzenesulfonyl-5,7-difluoro-2-trifluoromethyl-3,4-dihydro-2H-9-thia-1,4a-diaza-fluoren-2-ol [ No CAS ]
  • 3
  • [ 119256-40-5 ]
  • [ 153937-30-5 ]
YieldReaction ConditionsOperation in experiment
With water; potassium hydroxide; for 17h;Reflux; General procedure: To the stirred solution of KOH (18 g) in 24 mL of water, benzothioazole (15 mmol) was added and refluxed for 17 h. After cooling to room temperature, MeI (15 mmol) was added dropwise and stirring was continued for an additional 1 h. The resultant reaction mixture was extracted with diethyl ether (50 mLx 3), and the combined organic layers were dried over anhydrous Na2SO4, filtered and concentrated in vacuum. Purification of the crude product was achieved by flash column chromatography using petroleum ether/ethyl acetate (15:1) as eluent. A mixture of 2-(methylthio)aniline (1.49 g, 15 mmol), aqueous HCl (37%, 3 mL) and water (13 mL) was cooled to 0 C. A solution of NaNO2 (1.13 g, 16 mmol) in water (3 mL) was added dropwise and stirred for 10 min. The resulting diazonium salt was treated with a solution of KI (2.85 mg, 17 mmol) in water (3 mL). The resulting brown foamy mixture was stirred for 30 min at room temperature and heated at reflux for 15 min. After cooling to ambient temperature, the reaction was diluted with water (50mL) and neutralized by slow addition of aqueous Na2S2O3. The mixture was extracted with dichloromethane (10 mL x 2). The combined organic layer was dried over anhydrous Na2SO4, filtered and evaporated in vacuo. The residue was purified by silica gel column chromatography to afford (2-iodophenyl)(methyl)sulfane as colorless oil (260 mg, 81%). To a solution of (2-iodophenyl)(methyl)sulfane (5 mmol), CuI (2 mol %), and Pd(P Ph3)2Cl2 (2 mol %) in triethylamine (100 mL) was added drop-wise an alkyne (6 mmol) under N2. The reaction mixture was stirred for 5-10 h at room temperature. Upon completion, the mixture was diluted with diethyl ether and then washed with water and brine successively. The organic phase was dried with anhydrous Na2SO4, filtered, and concentrated under vacuum. The residue was purified through silica gel flash chromatography to give the desired product.
  • 4
  • [ 119256-40-5 ]
  • C7H7F2NS [ No CAS ]
  • 5
  • [ 119256-40-5 ]
  • C7H5F2IS [ No CAS ]
  • 6
  • [ 79-04-9 ]
  • [ 119256-40-5 ]
  • 2-chloro-N-(4,6-difluorobenzo[d]thiazol-2-yl)acetamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
186 mg With triethylamine; In dichloromethane; at 0 - 5℃; for 2h;Inert atmosphere; To a solution of 4,6-difluorobenzo[cf]thiazol-2-amine (186 mg) and dry EbN (141 mg) in 5 mL of dry DCM were added 2-chloroacetyl chloride (135 mg) dropwise at 0 C. After stirring 15 min at this temperature, the mixture was additionally stirred for 2 h at RT. After completion of the reaction as monitored by LCMS water was added and the organic phase was separated. The water phase was extracted two times with DCM and the combined organic layers were dried with MgS04, the solvent were removed under reduced pressure and the crude product was purified by silica gel chromatography using a gradient of ethyl acetate/cyclohexane as eluent. (0852) Yield: 186 mg MS (ES-) [M-H] : m/e = 261.0, RT: 1.101 min
  • 7
  • [ 67-56-1 ]
  • [ 52817-12-6 ]
  • [ 119256-40-5 ]
  • C18H11BrF2N2O3S [ No CAS ]
  • 8
  • [ 67-56-1 ]
  • [ 42248-31-7 ]
  • [ 119256-40-5 ]
  • C18H11ClF2N2O3S [ No CAS ]
  • 9
  • [ 67-56-1 ]
  • [ 17422-74-1 ]
  • [ 119256-40-5 ]
  • C18H12F2N2O3S [ No CAS ]
  • 10
  • [ 119256-40-5 ]
  • 4,6-difluoro-2-(3-methylbut-2-en-1-yl)benzo[d]thiazole [ No CAS ]
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