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[ CAS No. 15205-11-5 ]

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Inaccessible (Haz class 6.1), Domestic USD 41.00
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2D
Chemical Structure| 15205-11-5
Chemical Structure| 15205-11-5
Structure of 15205-11-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 15205-11-5 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 15205-11-5 ]

SDS

Product Details of [ 15205-11-5 ]

CAS No. :15205-11-5MDL No. :MFCD00042532
Formula :C7H7ClFNBoiling Point :216.199°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :159.59Pubchem ID :139909
Synonyms :

Computed Properties of [ 15205-11-5 ]

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

Safety of [ 15205-11-5 ]

Signal Word:DangerClass8
Precautionary Statements:P260-P303 P361 P353-P305 P351 P338-P301 P330 P331-P405-P501UN#:2735
Hazard Statements:H314-H318Packing Group:
GHS Pictogram:

Application In Synthesis of [ 15205-11-5 ]

  • Downstream synthetic route of [ 15205-11-5 ]

[ 15205-11-5 ] Synthesis Path-Downstream   1~10

  • 2
  • [ 15205-11-5 ]
  • [ 163011-67-4 ]
  • [3-(4-amino-furazan-3-yl)-[1,2,4]oxadiazol-5-yl]-(2-chloro-4-fluoro-benzyl)-amine [ No CAS ]
  • 3
  • [ 15205-11-5 ]
  • 3-alkoxy-4-(tert-butylamino)-cyclobut-3-ene-1,2-dione [ No CAS ]
  • 3-tert-butylamino-4-(2-chloro-4-fluoro-benzylamino)-cyclobut-3-ene-1,2-dione [ No CAS ]
  • 4
  • [ 15205-11-5 ]
  • 3-alkoxy-4-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione [ No CAS ]
  • 3-(2-chloro-4-fluoro-benzylamino)-4-(1,1-dimethyl-propylamino)-cyclobut-3-ene-1,2-dione [ No CAS ]
  • 5
  • [ 32833-96-8 ]
  • [ 1188429-06-2 ]
  • [ 15205-11-5 ]
  • [ 1188425-54-8 ]
YieldReaction ConditionsOperation in experiment
4 mg General procedure: To a mixture of 37 (30 mg, 0.076 mmol) and (3,4-difluorophenyl)methanamine (109 mg, 0.765 mmol) in ethanol (2 mL) was added TEA (0.107 mL, 0.765 mmol) and the mixture heated at 90 oC for 18 h. At this point LC-MS indicated completion of the reaction and the appearance of the desired product. The reaction mixture was cooled and the residue purified by HPLC to afford the desired product as a thick film. (2.5 mg, 6%).
  • 6
  • [ 3438-16-2 ]
  • [ 15205-11-5 ]
  • C15H12Cl2FNO2 [ No CAS ]
  • 7
  • [ 3438-16-2 ]
  • [ 15205-11-5 ]
  • 5-chloro-N-(2-chloro-4-fluorobenzyl)-2-hydroxybenzamide [ No CAS ]
  • 8
  • [ 33265-60-0 ]
  • [ 15205-11-5 ]
  • 4-(2-chloro-4-fluorophenyl)pyrrolo[1,2-a]quinoxaline [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With water; pyrographite; at 140℃; for 20h;Inert atmosphere; General procedure: H2O (1.0 ml) was added to the mixture of 2 (0.25 mmol) , 1 ( 0.75 mmol) and activited carbon (15% by the weight of 2) in a Y-shape glass vessel equipped with a condenser and three-way cock. The air in the reaction mixture was removed under vacuum and the reaction vessel was refilled with N2 through the three-way cock. This procedure was repeated three times. The reaction mixture was then stirred under N2 atmosphere at 140 C for 20 h. After cooling to room temperature, the catalyst was recovered by filtering the solid from liquid phase and reused for the next round. Then, the liquid phase was removed under vacuum and the residue was purified by flash column chromatography (petroleum ether/ethyl acetate) to give the product 3.
  • 9
  • [ 45767-66-6 ]
  • [ 15205-11-5 ]
YieldReaction ConditionsOperation in experiment
With ammonia; In methanol; at 50℃; for 2h;Inert atmosphere; To a stirred solution of 1-(bromomethyl)-2-chloro-4-fluorobenzene (1 g, 1 equiv.) in DMF (5 mL) was added NH3(g) in MeOH (5 mL) at room temperature under nitrogen atmosphere. The resulting mixture was stirred for 2 h at 50 degrees celsius under nitrogen atmosphere. The mixture was allowed to cool down to room temperature. The reaction was monitored by LCMS. The resulting mixture was used in the next step(E00848-157) directly without further purification
  • 10
  • [ 15205-11-5 ]
  • 4-chloro-5-(4-oxopiperidin-1-yl)pyridazin-3(2H)-one [ No CAS ]
  • 4-chloro-5-[1-[(2-chloro-4-fluorophenyl)methyl]-1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridin-5-yl]-2,3-dihydropyridazin-3-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
4.19% With 4-nitrophenyl azide; zinc diacetate; In N,N-dimethyl-formamide; at 60℃; for 16h; To a stirred mixture of [15205-11-5]1-[15205-11-5](2-chloro-4-fluorophenyl)methanamine (80 mg, 0.501 mmol, 1 equiv.) and 4-chloro-5-(4-oxopiperidin-1-yl)-2,3-dihydropyridazin-3-one (114.12 mg, 0.501 mmol, 1.00 equiv.) in DMF (5 mL) were added 1-azido-4-nitrobenzene (115.18 mg, 0.702 mmol, 1.4 equiv.) and Zn(OAc)2 (91.98 mg, 0.501 mmol, 1 equiv.) at room temperature. The resulting mixture was stirred for 16 h at 60 degrees C. The reaction was monitored by LCMS.The mixture was allowed to cool down to room temperature. The mixture was purified by reverse phase flash with the following conditions (Column:C18,330 g; Mobile Phase A: Water/0.05% NH4HCO3, Mobile Phase B:ACN; Flow rate:80 mL/min;Gradient: 35%B to 50%B in 15 min; Detector,220nm and 254nm) to afford crude product. The crude product (30 mg) was purified by Prep-HPLC with the following conditions (Column: XBridge Shield RP18 OBD Column, 5um,19*150mm; Mobile Phase A: Water(10MMOL/L NH4HCO3), Mobile Phase B: ACN; Flow rate: 25 mL/min; (1701) Gradient: 5% B to 16% B in 1 min; 254/220 nm; Rt: 7.47 min) to afford 4-chloro-5-[1-[(2- chloro-4-fluorophenyl)methyl]-1H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridin-5-yl]-2,3- dihydropyridazin-3-one(8.3mg,4.19%) as a white solid
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