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[ CAS No. 1378391-38-8 ]

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2D
Chemical Structure| 1378391-38-8
Chemical Structure| 1378391-38-8
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Product Details of [ 1378391-38-8 ]

CAS No. :1378391-38-8MDL No. :MFCD30536258
Formula : C19H17BrO3 Boiling Point : 580.6±50.0°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :373.24Pubchem ID :89590699
Synonyms :

Computed Properties of [ 1378391-38-8 ]

TPSA : 46.5 H-Bond Acceptor Count : 3
XLogP3 : 3.1 H-Bond Donor Count : 1
SP3 : 0.32 Rotatable Bond Count : 2

Safety of [ 1378391-38-8 ]

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 [ 1378391-38-8 ]

  • Upstream synthesis route of [ 1378391-38-8 ]
  • Downstream synthetic route of [ 1378391-38-8 ]

[ 1378391-38-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 1378391-38-8 ]
  • [ 1378390-29-4 ]
YieldReaction ConditionsOperation in experiment
7.49 g With manganese(IV) oxide In dichloromethane at 20℃; for 15 h; 3-Vinyl-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one (9.98 g, 36.1 mmol) was dissolved in a stirred solution of THF (70 mL), DMSO (70 mL) and H2O (35 mL). NBS (6.75 g, 37.9 mmol) was added in a single portion and the reaction mixture was stirred at RT for 33 min. Upon completion, the reaction medium was diluted with EtOAc and washed twice with H2O and once with brine. The organic phase was dried over MgSO4, filtered and concentrated under reduced pressure. The resulting crude bromohydrin was suspended in DCM (200 mL) and treated with activated MnO2 (62.7 g, 722 mmol). After stirring for 15 h at RT, the reaction mixture was filtered over celite and the filter cake was rinsed several times with DCM. The combined filtrate (400 mL) was treated with MeOH (100 mL) and the mixture was gradually concentrated under reduced pressure, causing solid material to precipitate from solution. When the liquid volume reached 200 mL, the solid was filtered off and rinsed with MeOH. The concentration/precipitation/filtration/rinsing sequence was performed 2× more, resulting in the collection of 3 crops of powdered 3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one (7.49 g, 56percent over 2 steps).
Reference: [1] Patent: US2014/178336, 2014, A1, . Location in patent: Paragraph 0237
[2] Patent: US2015/361073, 2015, A1, . Location in patent: Paragraph 0473
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