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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
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Chemical Structure| 55453-87-7 Chemical Structure| 55453-87-7
Chemical Structure| 55453-87-7

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Isoxepac is a non-steroid anti-inflammatory agent and may be used to treat rheumatoid arthritis.

Synonyms: HP 549

4.5 *For Research Use Only !

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Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

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Product Details of Isoxepac

CAS No. :55453-87-7
Formula : C16H12O4
M.W : 268.26
SMILES Code : O=C(O)CC1=CC=C(C2=C1)OCC3=CC=CC=C3C2=O
Synonyms :
HP 549
MDL No. :MFCD00242952
InChI Key :QFGMXJOBTNZHEL-UHFFFAOYSA-N
Pubchem ID :41448

Safety of Isoxepac

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301-H361-H372
Precautionary Statements:P201-P202-P260-P264-P270-P280-P301+P310+P330-P308+P313-P405-P501
Class:6.1
UN#:2811
Packing Group:

Application In Synthesis of Isoxepac

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 55453-87-7 ]

[ 55453-87-7 ] Synthesis Path-Downstream   1~35

  • 1
  • [ 55453-87-7 ]
  • [ 1779-49-3 ]
  • [ 113836-35-4 ]
  • 2
  • [ 55453-87-7 ]
  • [ 27710-82-3 ]
  • 11-hydroxy-11-(3-dimethylaminopropyl)-6,11-dihydrodibenz[b,e] oxepin-2-acetic acid [ No CAS ]
  • 3
  • [ 55453-87-7 ]
  • [4-(dimethylamino)butyl]triphenylphosphonium bromide hydrobromide [ No CAS ]
  • [11-(4-Dimethylamino-butyl)-11-hydroxy-6,11-dihydro-dibenzo[b,e]oxepin-2-yl]-acetic acid [ No CAS ]
  • 4
  • [ 55453-87-7 ]
  • [ 56427-65-7 ]
  • 5
  • [ 2417-73-4 ]
  • [ 55453-87-7 ]
  • 6
  • [ 55453-87-7 ]
  • 2-(6,11-dihydrodibenz[b,e]oxepin-2-yl)-N-ethyl-N-hydroxyethylamine [ No CAS ]
  • 7
  • [ 55453-87-7 ]
  • 2-(6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)-N-hydroxy-N-methyl-ethylamine [ No CAS ]
  • 8
  • [ 55453-87-7 ]
  • [ 135809-95-9 ]
  • 9
  • [ 55453-87-7 ]
  • N-Hydroxy-2-(11-oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetamide [ No CAS ]
  • 10
  • [ 55453-87-7 ]
  • 2-(6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)-N-hydroxy-N-methylacetamide [ No CAS ]
  • 11
  • [ 55453-87-7 ]
  • 2-[2-(Hydroxy-isopropyl-amino)-ethyl]-6H-dibenzo[b,e]oxepin-11-one [ No CAS ]
  • 12
  • [ 55453-87-7 ]
  • 2-(6,11-dihydro-11-hydroxydibenz[b,e]oxepin-2-yl)-N-ethyl-N-hydroxyethylamine [ No CAS ]
  • 13
  • [ 55453-87-7 ]
  • 2-(6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-yl)-N-ethyl-N-hydroxyacetamide [ No CAS ]
  • 14
  • [ 55453-87-7 ]
  • 2-(6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)-N-hydroxy-N-(1-methylethyl)acetamide [ No CAS ]
  • 15
  • [ 55453-87-7 ]
  • [ 173677-67-3 ]
  • 16
  • [ 55453-87-7 ]
  • N-[2-(6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)ethyl]-N-hydroxyacetamide [ No CAS ]
  • 17
  • [ 55453-87-7 ]
  • [ 94128-29-7 ]
  • 18
  • [ 55453-87-7 ]
  • N-cyclohexyl-2-(6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)-N-hydroxyacetamide [ No CAS ]
  • 19
  • [ 55453-87-7 ]
  • [ 173677-70-8 ]
  • 20
  • [ 55453-87-7 ]
  • [ 173677-68-4 ]
  • 21
  • [ 55453-87-7 ]
  • 2-(6,11-dihydro-11-oxodibenz<b,e>oxepin-2-yl)-N-(phenylmethoxy)-ethylamine hydrochloride [ No CAS ]
  • 22
  • [ 17138-28-2 ]
  • [ 55453-87-7 ]
  • 23
  • 2-(4-Ethoxycarbonylmethyl-phenoxymethyl)-benzoic acid methyl ester [ No CAS ]
  • [ 55453-87-7 ]
  • 24
  • [ 55453-87-7 ]
  • [ 113836-34-3 ]
YieldReaction ConditionsOperation in experiment
REFERENCE EXAMPLE 7 (Raw material 7) Methyl 11-methylene-6,11-dihydrodibenz-[b,e]oxepin-2-acetate The desired product is obtained by substituting 11-oxo-6,11-dihydrodibenz[b,e]oxepin-2-acetic acid for methyl 11-oxo-6,11-dihydrodibenz[b,e]oxepin-2-carboxylate in Reference example 6. Colorless oily matter NMR (CDCl3, delta, ppm): 3.48(s, 2H), 3.61(s, 3H), 5.05 (s, 2H), 5.20(s, 1H), 5.62(s, 1H), 6.59-7.43 (m, 7H) IR (neat, cm-1): 2950, 1740, 1615, 1490, 1010
  • 25
  • [ 55453-87-7 ]
  • {11-[4-Dimethylamino-but-(E)-ylidene]-6,11-dihydro-dibenzo[b,e]oxepin-2-yl}-acetic acid [ No CAS ]
  • 26
  • [ 55453-87-7 ]
  • {11-[4-Dimethylamino-but-(E)-ylidene]-6,11-dihydro-dibenzo[b,e]oxepin-2-yl}-acetic acid methyl ester [ No CAS ]
  • 27
  • [ 55453-87-7 ]
  • [ 113836-41-2 ]
  • 28
  • [ 55453-87-7 ]
  • [ 113836-40-1 ]
  • 29
  • [ 55453-87-7 ]
  • [ 140439-66-3 ]
  • 30
  • [ 55453-87-7 ]
  • {11-[2-(4-Methyl-piperazin-1-yl)-eth-(E)-ylidene]-6,11-dihydro-dibenzo[b,e]oxepin-2-yl}-acetic acid methyl ester; compound with trifluoro-acetic acid [ No CAS ]
  • 31
  • [ 55453-87-7 ]
  • [ 113835-77-1 ]
  • 32
  • [ 55453-87-7 ]
  • [ 113806-01-2 ]
  • 33
  • [ 55453-87-7 ]
  • [ 113806-02-3 ]
  • 34
  • [ 55453-87-7 ]
  • [ 173677-63-9 ]
YieldReaction ConditionsOperation in experiment
In tetrahydrofuran; EXAMPLE 33 2-(6,11-Dihydrodibenz[b,e]oxepin-2-yl)ethanol A solution of 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid (100 g) in 450 ml dry tetrahydrofuran (THF) at -5° C. was treated with a 1M solution of boran-THF complex (373 ml in THF) under a nitrogen blanket. After stirring at ambient temperature for 72 hours, the reaction was quenched with methanol then diluted with water. Evaporation of the organic phase left an oily biphase which was basified with saturated sodium bicarbonate and extracted into dichloromethane. The organic phase was dried and evaporated to an oil which was purified by flash chromatography to give 14 g of 2-(6,11-dihydrodibenz[b,e]oxepin-2-yl)ethanol as an oil.
YieldReaction ConditionsOperation in experiment
2.61 g (25.9%) (6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)acetate A stirred ice-water chilled solution of 5.08 g (0.02 mol) of 2-(6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)ethanol of Example 1, 11 ml of KOH-dried pyridine and 10 ml of sieve dried CH2 Cl2 was treated over ten minutes with a solution of 6.31 g (0.022 mol) of 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetyl chloride of Example 3. After total addition the solution was stirred for one hour with cooling and then one hour at ambient temperature. Aqueous quenching, extraction with CH2 Cl2 and washing with 5percent HCl, water, and 5percent NaHCO3 afforded 8.74 g of a foam which was a mixture of the starting alcohol and the desired ester. A cooled solution of the foam, 10 ml of KOH-dried pyridine and 10 ml of CH2 Cl2 was treated over a few minutes with a solution of 3.15 g (0.011 mol) of the acid chloride (Example 3) and 10 ml of CH2 Cl2. After total addition the solution was stirred overnight (about 16 hours) at ambient temperature and was quenched and extracted as previously described to afford 9.39 g of a powder after azeotropic distillation of toluene. The material was purified by high pressure liquid chromatography using 1percent ethyl acetate in CH2 Cl2 to afford 5.82 g of a viscous oil. The oil was purified again by high pressure liquid chromatography to afford 2.61 g (25.9percent) of a tacky amorphous solid of 2-(6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)ethyl (6,11-dihydro-11-oxodibenz[b,e]oxepin-2-yl)acetate after vacuum drying at 60°-100° C. ANALYSIS: Calculated for C32 H24 O6: 76.18percentC; 4.79percentH; Found: 76.19percentC; 5.17percentH
 

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