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[ CAS No. 1245643-21-3 ]

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2D
Chemical Structure| 1245643-21-3
Chemical Structure| 1245643-21-3
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Product Details of [ 1245643-21-3 ]

CAS No. :1245643-21-3MDL No. :MFCD12755798
Formula : C10H10BrNO2 Boiling Point : 258°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :256.10Pubchem ID :46856486
Synonyms :

Computed Properties of [ 1245643-21-3 ]

TPSA : 38.3 H-Bond Acceptor Count : 2
XLogP3 : 2.4 H-Bond Donor Count : 1
SP3 : 0.30 Rotatable Bond Count : 0

Safety of [ 1245643-21-3 ]

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 [ 1245643-21-3 ]

  • Upstream synthesis route of [ 1245643-21-3 ]
  • Downstream synthetic route of [ 1245643-21-3 ]

[ 1245643-21-3 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1451389-06-2 ]
  • [ 530-62-1 ]
  • [ 1245643-21-3 ]
YieldReaction ConditionsOperation in experiment
2.3 g at 60℃; Step 2: Into the solution of 2-(2-amino-4-bromophenyl)propan-2-ol (2.3 g) in THF (50 mL) was added CDI (1.95 g) at rt., then the mixture was warmed to 60° C. and stirred for overnight. After solvent removal, the residue was dissolved in ethyl acetate and washed with 1M of HCl(aq) and brine, and dried with dry agent. After removal of the solvent, the residue was crystallized from DCM and hexane to provide 2.3 g of 7-bromo-4,4-dimethyl-1H-benzo[d][1,3]oxazin-2(4H)-one 7.37 was synthesized.
Reference: [1] Patent: WO2013/124026, 2013, A1, . Location in patent: Page/Page column 173
[2] Patent: KR2016/37198, 2016, A, . Location in patent: Paragraph 3363-3364; 3367
  • 2
  • [ 135484-83-2 ]
  • [ 1245643-21-3 ]
Reference: [1] Patent: KR2016/37198, 2016, A,
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