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[ CAS No. 943899-12-5 ]

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2D
Chemical Structure| 943899-12-5
Chemical Structure| 943899-12-5
Structure of 943899-12-5 *Storage: {[proInfo.prStorage]}

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Product Details of [ 943899-12-5 ]

CAS No. :943899-12-5MDL No. :MFCD22570743
Formula : C18H16BNO2 Boiling Point : 494.4°C
Linear Structure Formula :-InChI Key :N/A
M.W :289.14Pubchem ID :90028501
Synonyms :

Computed Properties of [ 943899-12-5 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 943899-12-5 ]

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 [ 943899-12-5 ]

  • Downstream synthetic route of [ 943899-12-5 ]

[ 943899-12-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 5419-55-6 ]
  • [ 78600-33-6 ]
  • [ 943899-12-5 ]
YieldReaction ConditionsOperation in experiment
69% Preparation of compound 1-2[87]After the compound 1-1 (21.1 g, 65.6 mmol) was dissolved in THF (325 mL) and cooled at -78 C, n-BuLi (31.2 mL, 2.5M in hexane, 78.7 mmol) was slowly added. 1 hour later, triisopropylborate (22.4 mL, 98.4 mmol) was added. After slowly raising the temperature, the mixture was stirred for 12 hours at room temperature. Upon completion of the reaction, extracting with EA and distilled water followed by recrystallization (MC/Hexane) gave a compound 1-2 (13 g,69%).
Compound E3 can be synthesized by a person of ordinary skill following Scheme 12 illustrated in FIG. 13. In the first step compound SI 2-1 is combined with S0Cl2. The intermediate is taken without purification and combined with PhMgBr in THF at 0C and stirred for 4 hours to give compound S I 2-2. In the second step, compound SI 2-3 (available for purchase from Sigma-Aldrich Co., CAS No. 78600-33-6) is added to hexanes and cooled to 0 C before dropwise addition of nBuLi. B(OiPr)3 is subsequently added and the reaction is allowed to stir for 1 hour before being quenched with aqueous HC1 to give compound SI 2- 4. In the third step, compound S I 2-4 and compound SI 2-3 are combined with Pd(OAc)2 and K3P04 in THF at 45 C and stirred for 24 hours to give compound E3. It is understood that steps 1, 2, and 3 can be performed and optimized by a person having ordinary skill in the art without undue experimentation.
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