1,4-Thiazepan-5-one

Product Name: 1,4-Thiazepan-5-one
CAS No.: 2896-98-2
Chemical Name: 1,4-Thiazepan-5-one
Synonyms: 1,4-Thiazepan-5-one;Perhydro-1,4-thazepin-5-one;Tetrahydro-1,4-thiazepan-5-one;1,4-Thiazepin-5(2H)-one,tetrahydro-
CBNumber: CB91870450
Molecular Formula: C5H9NOS
Formula Weight: 131.2
MOL File: 2896-98-2.mol

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1,4-Thiazepan-5-one Property

Melting point:: 113-114 °C
Boiling point:: 347.4±35.0 °C(Predicted)
Density: 1.129±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
pka: 15.80±0.20(Predicted)
Appearance: White to off-white Solid
InChI: 1S/C5H9NOS/c7-5-1-3-8-4-2-6-5/h1-4H2,(H,6,7)
InChIKey: YBUWZZKYXPWDGO-UHFFFAOYSA-N
SMILES: O=C1CCSCCN1

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Safety

Hazard Codes: T
Risk Statements: 25-52
Safety Statements: 45
RIDADR: UN 2810 6.1 / PGIII
WGK Germany: 3
Storage Class: 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral
Aquatic Chronic 2

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H301Toxic if swalloed

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P273Avoid release to the environment.

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

P391Collect spillage. Hazardous to the aquatic environment

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: SYX00233
Product name: Tetrahydro-1,4-thiazepan-5-one
Purity: Aldrich
Packaging: 1g
Price: $77.9
Updated: 2026/03/19

TRC

Product number: B703583
Product name: 1,4-thiazepan-5-one
Packaging: 50mg
Price: $45
Updated: 2021/12/16

TRC

Product number: B703583
Product name: 1,4-thiazepan-5-one
Packaging: 100mg
Price: $65
Updated: 2021/12/16

AK Scientific

Product number: 9235AD
Product name: Tetrahydro-1,4-thiazepan-5-one
Packaging: 250mg
Price: $130
Updated: 2021/12/16

Matrix Scientific

Product number: 070721
Product name: Tetrahydro-1,4-thiazepan-5-one
Purity: 98%
Packaging: 250mg
Price: $605
Updated: 2021/12/16

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1,4-Thiazepan-5-one Chemical Properties,Usage,Production

Uses

1,4-Thiazepan-5-one can be used for combination therapy of hepatitis B infections.

Synthesis

6309-59-7

2896-98-2

General procedure for the synthesis of tetrahydro-1,4-thiopyran-5-one from tetrahydro-4H-thiopyran-4-one oxime: to an acetone/water (20 mL/20 mL) solution of compound 2 (1.0 g, 7.6 mmol) was added p-toluene sulfonyl chloride (TsCl, 2.16 g, 11.4 mmol) and sodium carbonate (Na2CO3, 1.2 g, 23.2 mmol). The reaction mixture was stirred at 60 °C for 16 hours. After completion of the reaction, the solvent was removed by concentration under reduced pressure. The residue was extracted with ethyl acetate (EA, 20 mL x 3). The organic layers were combined, dried over anhydrous sodium sulfate (Na2SO4), filtered and the filtrate was concentrated to give compound 3 (740 mg, 74% yield) as a white solid.

References

[1] Patent: US2015/197493, 2015, A1. Location in patent: Paragraph 0777; 0780; 0781
[2] Patent: WO2017/15106, 2017, A1. Location in patent: Page/Page column 28; 29
[3] Gazzetta Chimica Italiana, 1948, vol. 78, p. 207,216
[4] Journal of Organic Chemistry, 1955, vol. 20, p. 871,873
[5] Helvetica Chimica Acta, 1974, vol. 57, p. 2562 - 2571

1,4-Thiazepan-5-one Preparation Products And Raw materials

Raw materials

Preparation Products

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1,4-Thiazepan-5-one Suppliers

China 26 India 2 United States 5 Global 33

SuZhou ShiYa Biopharmaceuticals, Inc.

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SPIRO PHARMA

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Jiangsu aikang biomedical research and development co., LTD

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sgtlifesciences pvt ltd

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1,4-Thiazepan-5-one

Tetrahydro-1,4-thiazepan-5-one

1,4-Thiazepin-5(2H)-one,tetrahydro-

Perhydro-1,4-thazepin-5-one

2896-98-2