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Type HazMat fee for 500 gram (Estimated)
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Chemical Structure| 845866-79-7 Chemical Structure| 845866-79-7

Structure of 845866-79-7

Chemical Structure| 845866-79-7

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Product Details of [ 845866-79-7 ]

CAS No. :845866-79-7
Formula : C7H5F3INO
M.W : 303.02
SMILES Code : NC1=CC=C(OC(F)(F)F)C=C1I
MDL No. :MFCD04972994
InChI Key :QDKAGYKFJHVWBK-UHFFFAOYSA-N
Pubchem ID :2761172

Safety of [ 845866-79-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302+H312-H315-H319-H331-H335
Precautionary Statements:P261-P280-P305+P351+P338-P311
Class:6.1
UN#:2810
Packing Group:

Application In Synthesis of [ 845866-79-7 ]

* 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 [ 845866-79-7 ]

[ 845866-79-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 845866-79-7 ]
  • [ 89226-13-1 ]
  • tert-butyl ((6-(trifluoromethoxy)benzo[d]thiazol-2-yl)methyl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
52% To a stirred solution of 2-iodo-4-(trifluoromethoxy)aniline (300 mg, 0.9 mmol) in DMF (10 mL) was added tert-butyl (2-amino-2-thioethoxyethyl)carbamate (188 mg, 0.9 mmol) and CuO (79 mg, 0.9 mmol) at room temperature. The reaction mixture was purged with argon for 15 minutes. Then, dppf (55 mg, 0.09 mmol) and Pd2(dba)3 (46 mg, 0.04 mmol) was added to thereaction mixture. The reaction mixture was purged with argon for further 5 minutes and stirred in sealed tube at 90 C for 6 h. The reaction mixture was filtered through celite pad and washed the pad with EtOAc (50 mL). The filtrate was washed with cold water (2x15 mL) dried with sodium sulfate, filtered and solvent removed. The crude compound was purified by column chromatography (60-120 silica gel, gradient 30%-40% ethyl acetate/pet ether) to yield theproduct (180 mg, 52% yield) as a pale yellow solid. M/z 349.0 (M+H).
 

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