| Identification | More | [Name]
Isoxepac | [CAS]
55453-87-7 | [Synonyms]
(11-OXO-6,11-DIHYDRODIBENZO[B,E]OXEPIN-2-YL)ACETIC ACID
6,11-DIHYDRO-11-OXO-DIBENZ[B,E]OXEPIN-2-ACETIC ACID
isoxepac
ND4-B2
artil
e)oxepin-2-aceticacid,6,11-dihydro-11-oxo-dibenz(
hp549
DIBENZ[B,E]OXEPIN-2-ACETIC ACID, 6,11-DIOHYDRO-11-OXO
6,11-Hydro-11-Oxo-Dibenz[B,E]Oxepin-2-Acetic Acid
Olapatadine
6,11-DIHYDRO-11-OXO-DIBENZ[B,E]OXEPIN-2-ACETIC ACID(FOR OLOPATADINE)
6,11-dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic acid (Olopatadine)
11-Oxo-6,11-Dihydrobenz(b,e)oxepin-2-Acetic Acid (Isoxepac)
Isoxepac (Dibenz[b,e]oxepin-2-acetic acid, 6,11-dihydro-11-oxo)
6,11-Dihydro-11-oxo-dibenz[b,e]oxepin-2-acetic
2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid
6,11-Dihydro-11-oxodibenz[b,e]oxepine-2-acetic acid
P-720549
6,11-dihydro-11-oxodibenz[b,e]opepin-2-acetic acid | [EINECS(EC#)]
611-268-9 | [Molecular Formula]
C16H12O4 | [MDL Number]
MFCD00242952 | [Molecular Weight]
268.26 | [MOL File]
55453-87-7.mol |
| Chemical Properties | Back Directory | [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 ]
neat | [pka]
4.24±0.10(Predicted) | [color ]
White to Light yellow to Light orange | [Merck ]
14,5237 | [InChIKey]
QFGMXJOBTNZHEL-UHFFFAOYSA-N | [CAS DataBase Reference]
55453-87-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
T | [Risk Statements ]
25-62 | [Safety Statements ]
36/37-45 | [RIDADR ]
UN 2811 6.1 / PGIII | [RTECS ]
HQ4110000 | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2932996560 | [Toxicity]
LD50 orally in rats: 199 mg/kg (Ueno) |
| Hazard Information | Back Directory | [Chemical Properties]
Beige Solid | [Uses]
Non-steroidal anti-inflammatory with analgesic and antipyretic activity | [Definition]
ChEBI: Isoxepac is a dibenzooxazepine. | [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 | [Brand name]
Artil(Hoechst-Roussel)
. | [storage]
Store at -20°C |
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