[ CAS No. 77095-51-3 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 77095-51-3
Chemical Structure| 77095-51-3
Structure of 77095-51-3

Quality Control of [ 77095-51-3 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 77095-51-3 ]

SDS

Product Details of [ 77095-51-3 ]

CAS No. :77095-51-3MDL No. :MFCD01006751
Formula :C9H6O3Boiling Point :325.6°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :162.14Pubchem ID :17867234
Synonyms :

Computed Properties of [ 77095-51-3 ]

TPSA : 50.4 H-Bond Acceptor Count : 3
XLogP3 : 1.9 H-Bond Donor Count : 1
SP3 : 0.00 Rotatable Bond Count : 1

Safety of [ 77095-51-3 ]

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 [ 77095-51-3 ]

  • Downstream synthetic route of [ 77095-51-3 ]

[ 77095-51-3 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 619-12-5 ]
  • [ 77095-51-3 ]
  • 2
  • [ 99-06-9 ]
  • [ 77095-51-3 ]
  • 4
  • [ 77095-51-3 ]
  • [ 67025-97-2 ]
  • 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6α-(benzofuran-6-carboxamido)morphinan hydrochloride [ No CAS ]
  • 5
  • [ 77095-51-3 ]
  • [ 67025-97-2 ]
  • 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6α-(benzofuran-6-carboxamido)morphinan [ No CAS ]
  • 6
  • [ 77095-51-3 ]
  • [ 67025-97-2 ]
  • 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-(benzofuran-6-carboxamido)morphinan hydrochloride [ No CAS ]
  • 7
  • [ 77095-51-3 ]
  • [ 67025-97-2 ]
  • 17-cyclopropylmethyl-3,14β-dihydroxy-4,5α-epoxy-6β-(benzofuran-6-carboxamido)morphinan [ No CAS ]
  • 8
  • [ 77095-51-3 ]
  • C29H27Cl2N3O6S*(x)ClH [ No CAS ]
  • C38H31Cl2N3O8S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Benzofuran-6-carboxylic acid (4 g, 0.024 mmol) was added to triethyl amine (7.5 g, 0.72 mmol) and 3-[bis(dimethylamino) mcthylium-ylJ-3/7-bcnzotriazol- 1 -oxide hexaflorophosphate (HBTU, 11.2 g, 0.029 mmol), then stirred for 15 minutes at 25- 35C in dimethyl formamide (40 ml, 10 volumes) and then stage-IV (16.1 g, 0.024 mmol) was added to the reaction mass at 25-35C and stirred at 35-45C for 5 hours. After completion of the reaction, DMF was distilled under vacuum at below 60C. The residue was dissolved in ethyl acetate and washed with about 5% sodium bicarbonate solution (40 ml) and water (40 ml). The organic layer was distilled under vacuum at below 50C to get the product. The obtained crude was stirred in hexane (20 ml) for 30 min at 25-35C, filtered the product and washed with hexane (10 ml). The compound was dried in vacuum oven at 50-55C.
  • 9
  • [ 77095-51-3 ]
  • C29H23Cl2N2O7S(1-)*Na(1+) [ No CAS ]
  • 10
  • [ 77095-51-3 ]
  • C30H26Cl2N2O7S [ No CAS ]
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