ChemicalBook > CAS DataBase List > azepane-2,4-dione

azepane-2,4-dione

Uses

Product Name: azepane-2,4-dione
CAS No.: 29520-88-5
Chemical Name: azepane-2,4-dione
Synonyms: azepane-2,4-dione;1H-Tetrahydro-azepine-2,4-dione;1H-Azepine-2,4(3H,5H)-dione, dihydro-
CBNumber: CB12682892
Molecular Formula: C6H9NO2
Formula Weight: 127.14
MOL File: 29520-88-5.mol

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azepane-2,4-dione Property

Boiling point:: 357.7±35.0 °C(Predicted)
Density: 1.122±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 12.68±0.20(Predicted)

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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

TRC

Product number: A809763
Product name: Azepane-2,4-dione
Packaging: 10mg
Price: $45
Updated: 2021/12/16

AK Scientific

Product number: 3822AJ
Product name: Azepane-2,4-dione
Packaging: 5g
Price: $1011
Updated: 2021/12/16

AK Scientific

Product number: 3822AJ
Product name: Azepane-2,4-dione
Packaging: 10g
Price: $1692
Updated: 2021/12/16

Crysdot

Product number: CD11152151
Product name: Azepane-2,4-dione
Purity: 98%
Packaging: 25g
Price: $2258
Updated: 2021/12/16

Alichem

Product number: 29520885
Product name: Azepane-2,4-dione
Packaging: 25g
Price: $2348.4
Updated: 2021/12/16

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azepane-2,4-dione Chemical Properties,Usage,Production

Uses

Azacycloheptan-2,4-dione can be used to prepare fused lactam derivatives having the following structure. These compounds exhibit antagonistic activity against serotonin 5-HT2A receptors and agonistic activity against serotonin 5-HT1A receptors, and can be used as drugs for the treatment of neuropsychiatric disorders.

Synthesis

165257-04-5

29520-88-5

Example 2A: Synthesis of benzyl-2,4-dione 4-Ethoxy-6,7-dihydro-1H-azepin-2(5H)-one (2.5 g, 16 mmol) was dissolved in acetone (70 mL) and 10% HCl aqueous solution (17 mL) was added. The reaction mixture was stirred at 25°C for 12 hours. After completion of the reaction, the acetone was removed under vacuum. The resulting mixture was extracted with dichloromethane (10 x 15 mL). The organic phases were combined, dried over anhydrous sodium sulfate, filtered and concentrated in vacuum to give the crude product as a yellow solid. Purification by fast column chromatography (silica gel, 10% methanol/ethyl acetate) afforded azepane-2,4-dione (2.03 g, 100%) as a white solid. The product characterization data were as follows: 1H NMR (400 MHz, CDCl3) δ 7.55 (s, NH), 3.47 (s, 2H), 3.40 (m, ), 2.59 (t, J = 6.8 Hz, 2H), 1.96 (m, 2H). 13C NMR (100 MHz, CDCl3) δ 202.5, 169.5, 51.9, 43.2, 40.8, 27.6; IR (KBr) νm, 2.59 (t, J = 6.8 Hz, 2H), 1.96 (m, 2H). IR (KBr) νmax 3213, 3105, 2942, 1702, 1671, 1482, 1412, 1348 cm?1; HRMS (ESI) m/l; δ HRMS (ESI) m/z calculated C6H9NO2Na: 150.0525; measured: 150.0507.

References

[1] Organic Letters, 2009, vol. 11, # 10, p. 2133 - 2136
[2] Patent: US2010/234588, 2010, A1. Location in patent: Page/Page column 8

azepane-2,4-dione Preparation Products And Raw materials

Raw materials

Preparation Products

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29520-88-5, azepane-2,4-dioneRelated Search:

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29520-88-5