[ CAS No. 137778-20-2 ]

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2D
Chemical Structure| 137778-20-2
Chemical Structure| 137778-20-2
Structure of 137778-20-2

Quality Control of [ 137778-20-2 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 137778-20-2 ]

SDS

Product Details of [ 137778-20-2 ]

CAS No. :137778-20-2MDL No. :MFCD13181588
Formula :C7H6BrNO2Boiling Point :-
Linear Structure Formula :-InChI Key :UXKSXZKZOWOMKC-UHFFFAOYSA-N
M.W :216.03Pubchem ID :15094706
Synonyms :

Computed Properties of [ 137778-20-2 ]

TPSA : 50.2 H-Bond Acceptor Count : 3
XLogP3 : 1.8 H-Bond Donor Count : 1
SP3 : 0.14 Rotatable Bond Count : 1

Safety of [ 137778-20-2 ]

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

Application In Synthesis of [ 137778-20-2 ]

  • Upstream synthesis route of [ 137778-20-2 ]

[ 137778-20-2 ] Synthesis Path-Upstream   1~5

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YieldReaction ConditionsOperation in experiment
90%
Stage #1: With water; sodium hydroxide In methanol at 66℃; Industry scale
Stage #2: With sulfuric acid In water
Example 95-Bromo-6-methyl-2-pyridine carboxylic acid synthesisInto a 300-l. stainless steel reactor was placed 3-bromo-2-methyl-6-cyanopyridine (18 kg, 91.37 moles), sodium hydroxide (10 kg, 250 moles), water (26 kg) and methanol (59 kg). The mixture was stirred and heated to reflux (66° C.) for 1.52 hrs. The reaction was stopped when the raw material was detected at less than 1percent. Solvent was removed under vacuum at a temperature below 50° C. After concentration, water (72 kg) was added and the mixture was cooled to 0° C. Conc. sulfuric acid (105 kg) was added to adjust the pH to 7, precipitating the product. After centrifugation and drying, white solid (17.8 kg, 82.3 moles) was obtained. The purity of the product was >98percent, and the yield was 90percent.
Reference: [1] Patent: US2010/305330, 2010, A1. Location in patent: Page/Page column 3
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Reference: [1] Journal of Medicinal Chemistry, 2014, vol. 57, # 1, p. 110 - 130
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  • [ 137778-18-8 ]
  • [ 137778-20-2 ]
Reference: [1] Polish Journal of Chemistry, 1991, vol. 65, # 2-3, p. 289 - 295
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  • [ 87180-69-6 ]
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Reference: [1] Polish Journal of Chemistry, 1991, vol. 65, # 2-3, p. 289 - 295
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  • [ 137778-11-1 ]
  • [ 137778-20-2 ]
Reference: [1] Polish Journal of Chemistry, 1991, vol. 65, # 2-3, p. 289 - 295
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