- Isoxepac
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- $0.00 / 1g
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2026-04-25
- CAS:55453-87-7
- Min. Order: 0.1g
- Purity: 99%
- Supply Ability: 2000000t
- Isoxepac
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- $0.00 / 25Kg/Drum
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2026-04-24
- CAS:55453-87-7
- Min. Order: 1KG
- Purity: 98.5%min
- Supply Ability: 1000kg
- Isoxepac
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- $29.00 / 1mL
-
2026-04-23
- CAS:55453-87-7
- Min. Order:
- Purity: 99.91%
- Supply Ability: 10g
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| | Isoxepac Basic information |
| | Isoxepac Chemical Properties |
| Melting point | 130-132°C | | Boiling point | 528.2±50.0 °C(Predicted) | | density | 1.39 g/cm3 | | storage temp. | Sealed in dry,Room Temperature | | solubility | soluble in Methanol | | form | Solid | | pka | 4.24±0.10(Predicted) | | color | White to Light yellow to Light orange | | Merck | 14,5237 | | Major Application | pharmaceutical (small molecule) | | InChI | InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18) | | InChIKey | QFGMXJOBTNZHEL-UHFFFAOYSA-N | | SMILES | O1CC2=CC=CC=C2C(=O)C2=CC(CC(O)=O)=CC=C12 | | CAS DataBase Reference | 55453-87-7(CAS DataBase Reference) |
| Hazard Codes | T | | Risk Statements | 25-62 | | Safety Statements | 36/37-45 | | RIDADR | UN 2811 6.1 / PGIII | | WGK Germany | WGK 3 | | RTECS | HQ4110000 | | HazardClass | 6.1 | | PackingGroup | III | | HS Code | 2932996560 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral
Repr. 2
STOT RE 1 | | Toxicity | LD50 orally in rats: 199 mg/kg (Ueno) |
| | Isoxepac Usage And Synthesis |
| Chemical Properties | Beige Solid | | Uses | Isoxepac is a non-steroidal anti-inflammatory with analgesic and antipyretic activity. It is more slowly absorbed and eliminated in the rat and rabbit after oral dosing than in the dog, rhesus monkey and man.It can be used to treat allergic rhinitis, urticaria, and skin diseases with itching symptoms. | | Preparation | Isoxic acid is an important intermediate in the synthesis of the new preferred anti-allergic drug, olopatadine hydrochloride, preparation method of isoxepac:
(1) condensation: prepare p-hydroxyphenylaceticacid 8-12 part, phthalide 6-12 part, sodium methylate 8-12 part by weight; Dissolve with DMAC and to add said sodium methylate behind said p-hydroxyphenylaceticacid and the phthalide; Be that 0.1-10Pa is heated to 80-170 ℃ of reaction 3-10h at pressure then; Regulate the pH value to 1-5,4-(2-carboxyl benzyloxy) toluylic acid is separated out in crystallization;
(2) cyclization: with Glacial acetic acid min. 99.5 dissolving step (1) gained 4-(2-carboxyl benzyloxy) toluylic acid, adding 3-52 weight part polyphosphoric acid again, is that 0.1-10Pa is heated to 30-100 ℃ of reaction 3-12h at pressure, and crystallisation by cooling gets the Isoxepac bullion then;
(3) purify: behind the said Isoxepac bullion of acetic acid ethyl dissolution, refining decolouring gets the Isoxepac product.
https://patents.google.com/patent/CN102838582A/en | | Definition | ChEBI: Isoxepac is a dibenzooxazepine. | | Brand name | Artil(Hoechst-Roussel)
. | | Synthesis | General procedure for the synthesis of 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxazepin-2-yl)acetic acid from 2-[(4-carboxymethylphenoxy)methyl]benzoic acid: 2-[(4-carboxymethylphenoxy)methyl]benzoic acid (total amount) obtained in Step 4 was added to a 500 mL four-necked flask with 200 mL of chlorobenzene, 75.0 g ( 0.3753 mol) trifluoroacetic anhydride, and the reaction was stirred at about 20°C for 4 hours. Subsequently, 2.3 g (0.0162 mol) of boron trifluoride-ether complex was slowly added dropwise over 10 minutes at -10 to 0 °C and stirring was continued for 30 minutes. After completion of the reaction, the aqueous phase was separated and the organic layer was washed with 200 mL of water. The washed organic layer was added to 300 mL of aqueous solution with 7.2 g of sodium hydroxide dissolved in it and stirred for 30 minutes, and the aqueous phase was again separated. To the aqueous phase, 2.0 g of activated carbon was added and stirred for 30 minutes, then the activated carbon was removed by filtration through a Brinell funnel and the activated carbon was washed with 10 mL of water. The filtrate was combined with the wash solution, the temperature was maintained at about 40 °C, and a mixture consisting of 11.3 g (0.1876 mol) acetic acid with 50 mL of water was added dropwise over 30 minutes. After the dropwise addition, the mixture was cooled to 0 to 10 °C and the crystals were collected by filtration through a Brinell funnel and washed with 200 mL of water. The resulting crystals were dried under reduced pressure to afford 42.0 g of the target product 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxazepin-2-yl)acetic acid in 96.4% yield (based on 2-[(4-carboxymethylphenoxy)methyl]benzoic acid) and 99.9% purity by HPLC.HPLC conditions:The chromatographic column was Inertsil ODS-5 μm ( 4.6 mm ID×15 cm); mobile phase was 0.02% aqueous trifluoroacetic acid/acetonitrile=5/5→3/7 (30 min); detection wavelength was UV 254 nm. Physical property data: 1H NMR (400 MHz, DMSO-d6) δ 3.63 (s, 2H), 5.30 (s, 2H), 7.07 (d, J=8.0 Hz, 2H) , 7.48 (t, J=3.6 Hz, 1H), 7.55 (dd, J=7.9 Hz, 2H), 7.67 (t, J=7.6 Hz, 1H), 7.78 (d, J=7.6 Hz, 1H), 7.97 (d, J=2.0 Hz, 1H). | | References | [1] Patent: EP2072507, 2009, A1. Location in patent: Page/Page column 10-11
[2] Patent: US2007/232814, 2007, A1. Location in patent: Page/Page column 23-24
[3] Patent: CN104262318, 2016, B. Location in patent: Paragraph 0055; 0056
[4] Journal of Medicinal Chemistry, 1996, vol. 39, # 1, p. 246 - 252
[5] Patent: US4585788, 1986, A |
| | Isoxepac Preparation Products And Raw materials |
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