Isoxepac

Product Name: Isoxepac
CAS No.: 55453-87-7
Chemical Name: Isoxepac
Synonyms: 2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid;Olapatadine;6,11-DIHYDRO-11-OXO-DIBENZ[B,E]OXEPIN-2-ACETIC ACID;6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid;hp549;artil;ND4-B2;P-720549;isoxepac;NSC 300907
CBNumber: CB3466254
Molecular Formula: C16H12O4
Formula Weight: 268.26
MOL File: 55453-87-7.mol

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Isoxepac Property

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
pka: 4.24±0.10(Predicted)
form: Solid
color: White to Light yellow to Light orange
Merck: 14,5237
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)

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Safety

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)

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: PHR2539
Product name: Olopatadine Related Compound C
Purity: Pharmaceutical Secondary Standard; Certified Reference Material
Packaging: 50MG
Price: $545.3
Updated: 2025/07/31

Sigma-Aldrich

Product number: 1478436
Product name: Olopatadine Related Compound C
Purity: United States Pharmacopeia (USP) Reference Standard
Packaging: 35mg
Price: $1200
Updated: 2025/07/31

TCI Chemical

Product number: D4242
Product name: 6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid
Purity: >97.0%(HPLC)(T)
Packaging: 1g
Price: $57
Updated: 2025/07/31

TCI Chemical

Product number: D4242
Product name: 6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid
Purity: >97.0%(HPLC)(T)
Packaging: 5g
Price: $199
Updated: 2025/07/31

TRC

Product number: I917700
Product name: Isoxepac
Packaging: 10g
Price: $305
Updated: 2021/12/16

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Isoxepac Chemical Properties,Usage,Production

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.

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) .

Synthesis

55453-89-9

55453-87-7

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

Raw materials

Preparation Products

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View Lastest Price from Isoxepac manufacturers

Anhuyan (Hainan) Biotechnology Co., LTD

Product: Isoxepac 55453-87-7
Price: US $0.00-0.00/g
Min. Order: 0.1g
Purity: 99%
Supply Ability: 2000000t
Release date: 2025-06-16

WUHAN FORTUNA CHEMICAL CO., LTD

Product: Isoxepac 55453-87-7
Price: US $0.00/Kg/Drum
Min. Order: 1KG
Purity: 98.5%min
Supply Ability: 1000kg
Release date: 2021-07-01

Hebei Chuanghai Biotechnology Co., Ltd

Product: Isoxepac 55453-87-7
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 500000kg
Release date: 2024-10-29

55453-87-7, IsoxepacRelated Search:

Phenoxyacetic acid Ethyl 2-(Chlorosulfonyl)acetate Allyl phenoxyacetate 2-Hydroxyphenylacetic acid Triclopyr Fluroxypyr Dihydromyrcenol 4-Hydroxyphenylacetic acid Ethyl phenylacetate IXABEPILONE Ascoric Acid Olopatadine hydrochloride Olopatadine-d3 N-Oxide Olopatadine USP RC B Olopatadine Isopropyl ester Hydrochloride Olopatadine N-Oxide Olopatadine Impurity 1 edoxaban

Olopatadine Impurity 3（Olopatadine USP RC C）

6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic acid, 97.0%

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

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

2-(11-keto-6H-benzo[c][2]benzoxepin-2-yl)acetic acid

2-(11-oxo-6H-benzo[c][2]benzoxepin-2-yl)acetic acid

2-(11-oxo-6H-benzo[c][2]benzoxepin-2-yl)ethanoic acid

6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetic acid (Isoxepac)

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)

Olopatadine Related Compound C (35 mg) ((11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid)

ND4-B2

artil

isoxepac

6,11-DIHYDRO-11-OXO-DIBENZ[B,E]OXEPIN-2-ACETIC ACID

(11-OXO-6,11-DIHYDRODIBENZO[B,E]OXEPIN-2-YL)ACETIC ACID

Olotatadine related compound C

11-Oxo-6,11-dihydrodibenz[b,e]oxepin-2-acetic Acid

NSC 300907

Isoxepac-d6

6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid

Olopatadine Related CoMpund C

Olopatadine Related CoMpound C

Olopatadine USP RC C

Olopatadine USP Related Compound C

e]oxepin-2-acetic acid

11-Dihydro-11-oxo-dibenz[b

6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-aceticAcid&gt

Dibenz[b,e]oxepin-2-acetic acid, 6,11-dihydro-11-oxo-

Olopatadine Related Compound C (35 mg)

6H-11-Oxodibenzo[b,e]oxepin-2-acetic Acid

TIANFU-CHEM 55453-87-7 Isoxepac

Olopatadine Related Compound C ((11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid) (1478436)

16-trihydroxy-palmitic acid

Isoxepac-HBW

Olotadine Hydrochloride Isoclate

(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic Acid (Isoxepac)

Isoxic acid

2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)aceticaci

OLOPATADINE EP IMP C

6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid or Isopec

Olopatadine USP Related Compound C (Isoxepac)

Isoxepac, 10 mM in DMSO

OLOPATADINE EP IMPURITY C

55453-87-7

1313-91-1

55453-67-7

54453-87-7