62557-53-3

Basic information

• Product Name: 1-benzoxepin-3,5(2H,4H)-dione
• Synonyms: 1-benzoxepin-3,5(2H,4H)-dione
• CAS NO: 62557-53-3
• Molecular Formula: C10H8O3
• Molecular Weight: 176.16872
• EINECS: 263-595-8
• Mol File: 62557-53-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 353.6°C at 760 mmHg
• Flash Point: 160.7°C
• Appearance: /
• Density: 1.276g/cm³
• Vapor Pressure: 3.54E-05mmHg at 25°C
• Refractive Index: 1.564
• CAS DataBase Reference: 1-benzoxepin-3,5(2H,4H)-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 1-benzoxepin-3,5(2H,4H)-dione(62557-53-3)
• EPA Substance Registry System: 1-benzoxepin-3,5(2H,4H)-dione(62557-53-3)

Safety Data

• Hazardous Substances Data: 62557-53-3(Hazardous Substances Data)

Usage

General Description

1-Benzoxepin-3,5(2H,4H)-dione, also known as 1-benzoxepin-3,5-dione, is a chemical compound with the molecular formula C7H4O3. It is a yellow crystalline powder with a molecular weight of 136.11 g/mol. 1-Benzoxepin-3,5(2H,4H)-dione has potential applications in the field of pharmaceuticals and agrochemicals due to its structural versatility and reactivity. It can also be used as an intermediate for the synthesis of various organic compounds. 1-Benzoxepin-3,5(2H,4H)-dione possesses interesting physical and chemical properties, making it a subject of interest for further research and development in various industrial and scientific sectors.

InChI:InChI=1/C10H8O3/c11-7-5-9(12)8-3-1-2-4-10(8)13-6-7/h1-4H,5-6H2

Upstream product

• 77956-92-4 methyl 2-(2-acetylphenoxy)acetate 
• 63815-27-0 2-(2'-acetylphenoxy)acetic acid ethyl ester 

Downstream Products

• 77956-42-4 3-phenethylamino-1-benzoxepin-5(2H)-one 
• 77956-93-5 trans-3-methylamino-2,3,4,5-tetrahydro-1-benzoxepine-5-ol 
• 77956-93-5 cis-3-methylamino-2,3,4,5-tetrahydro-1-benzoxepine-5-ol 
• 77957-55-2 (3R,5R)-3-Morpholin-4-yl-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 77957-55-2 (3S,5R)-3-Morpholin-4-yl-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 77957-51-8 (3R,5R)-3-Piperidin-1-yl-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 77957-51-8 (3S,5R)-3-Piperidin-1-yl-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 77957-47-2 (3R,5R)-3-Pyrrolidin-1-yl-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 77957-47-2 (3S,5R)-3-Pyrrolidin-1-yl-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 77957-39-2 (3R,5R)-3-Butylamino-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 77957-39-2 (3S,5R)-3-Butylamino-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 77957-02-9 (3R,5R)-3-Diethylamino-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 77957-02-9 (3S,5R)-3-Diethylamino-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 
• 102220-86-0 (3R,5R)-3-Dimethylamino-2,3,4,5-tetrahydro-benzo[b]oxepin-5-ol; compound with toluene-4-sulfonic acid 

Relevant articles and documents

An Enolate-Structure-Enabled Anionic Cascade Cyclization Reaction: Easy Access to Complex Scaffolds with Contiguous Six-, Five-, and Four-Membered Rings

Catalyst-free addition of ketone enolate to non-activated multiple C?C bonds involves non-complementary reaction partners and typically requires super-basic conditions. On the other hand, highly aggregated or solvated enolates are not reactive enough to undergo direct addition to alkenes or alkynes. Herein, we report a new anionic cascade reaction for one-step assembly of intriguing molecular scaffolds possessing contiguous six-, five-, and four-membered rings, representing a formal [2+2] enol–allene cycloaddition. Reaction proceeds under very mild conditions and with excellent diastereoselectivity. Deeper mechanistic and computational studies revealed unusually slow proton transfer phenomenon in cyclic ketone intermediate and explained peculiar stereochemical outcome.

Synthesis of 3-amino-2,3,4,5-tetrahydro-1-benzoxepine-5-ols and their action on gastric motility

3-Amino-2,3,4,5-tetrahydro-1-benzoxepine-5-ols are synthesized by condensation of 2,3,4,5-tetrahydro-1-benzoxepine-3,5-diones with amines and subsequent one or two step reduction. The pharmacological action of these compounds on the gastric motility of anesthetized rats is described. The effects both after parenteral and after enteral application were determined using a pressure recording technique. Dose response curves of KC 2450 (rac. cis-3-methylamino-2,3,4,5-tetrahydro-1-benzoxepine-5-ol hydrochloride; prop. INN for the base: exepanol) and of domperidone are given.