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[ CAS No. 1137129-05-5 ]

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2D
Chemical Structure| 1137129-05-5
Chemical Structure| 1137129-05-5
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Product Details of [ 1137129-05-5 ]

CAS No. :1137129-05-5MDL No. :MFCD24038554
Formula : C10H5BrFNO2S Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :302.12Pubchem ID :68474259
Synonyms :

Computed Properties of [ 1137129-05-5 ]

TPSA : 78.4 H-Bond Acceptor Count : 5
XLogP3 : 3.6 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 2

Safety of [ 1137129-05-5 ]

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

Application In Synthesis of [ 1137129-05-5 ]

  • Downstream synthetic route of [ 1137129-05-5 ]

[ 1137129-05-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1137129-05-5 ]
  • [ 139004-93-6 ]
  • [ 1137129-14-6 ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 1; (S)-6-methyl-imidazo[2,1-b]thiazole-5-carboxylic acid{1-[5-(4-fluoro-phenyl)-2-(2-fluoro-phenyl)-thiazole-4-carbonyl]-piperidin-2-ylmethyl}-amide; 1.1. (S)-{1-[2-bromo-5-(4-fluoro-phenyl)-thiazole-4-carbonyl]-piperidin-2-ylmethyl}-carbamic acid tert-butyl ester; 2-bromo-5-(4-fluoro-phenyl)-thiazole-4-carboxylic acid (1.02 g, 3.38 mmol) was dissolved in acetonitrile (20 ml) followed by the addition of TBTU (1.19 g, 3.72 mmol) and DIPEA (547 mg, 4.22 mmol). Stirring was continued for 30 min. at rt. A solution of <strong>[139004-93-6](S)-piperidin-2-ylmethyl-carbamic acid tert-butyl ester</strong> (725 mg, 3.38 mmol) in acetonitrile (20 ml) was added to the reaction mixture within 10 minutes and stiring was continued at rt for 24 h. The reaction mixture was concentrated under reduced pressure followed by the addition of aq. HCl (0.5 M, 50 ml). Stirring was continued for 30 min. The precipitated product was filtered off, washed with cold water and dried at HV to give the expected product (1.57 g). LC-MS: tR=1.03 min; [M+H]+=500.38.
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