N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE

Product Name: N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE
CAS No.: 83621-33-4
Chemical Name: N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE
Synonyms: N-CBZ-4-OXOAZEPANE;N-Cbz-azepan-4-one;N-Cbz Azepane-4-one;4-oxoazepane-1-carboxyL;N-CBZ-4-perhydroazepinone;N-CBZ-PERHYDROAZEPIN-4-ONE;AZEPAN-4-ONE, N-CBZ PROTECTED;N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE;1-Cbz-hexahydro-4-oxo-1H-azepine;PERHYDROAZEPIN-4-ONE, N-CBZ PROTECTED
CBNumber: CB7276590
Molecular Formula: C14H17NO3
Formula Weight: 247.29
MOL File: 83621-33-4.mol

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N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE Property

Boiling point:: 398.2±42.0 °C(Predicted)
Density: 1.177±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
pka: -1.55±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C14H17NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2
InChIKey: ORJQXZSDLARZBC-UHFFFAOYSA-N
SMILES: N1(C(OCC2=CC=CC=C2)=O)CCCC(=O)CC1

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Safety

Hazard Codes: Xi
Risk Statements: 52
WGK Germany: 3
Hazard Note: Irritant
HS Code: 2914290090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word: Warning
Hazard statements: H412Harmful to aquatic life with long lasting effects
Precautionary statements: P273Avoid release to the environment.

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: SYX00187
Product name: Benzyl 4-oxoazepane-1-carboxylate
Purity: Aldrich
Packaging: 1g
Price: $427
Updated: 2025/07/31

TRC

Product number: B194178
Product name: Benzyl 4-oxoazepane-1-carboxylate
Packaging: 10mg
Price: $45
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC139895
Product name: N-Cbz-hexahydro-1H-azepin-4-one
Packaging: 2g
Price: $60
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FC139895
Product name: N-Cbz-hexahydro-1H-azepin-4-one
Packaging: 5G
Price: $100
Updated: 2021/12/16

Apolloscientific

Product number: OR4404
Product name: Azepan-4-one,N-CBZprotected
Packaging: 1g
Price: $119
Updated: 2021/12/16

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N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE Chemical Properties,Usage,Production

Synthesis

31696-09-0

83621-33-4

General procedure for the synthesis of N-CBZ-4-azepinone from ethyl 1-Cbz-5-oxoazepane-4-carboxylate: an aqueous solution of potassium hydroxide (24.6 g, 375 mmol) (400 mL) was added to an ethanolic solution of 5-benzyl 4-ethyl-5-oxo-1,4-azepanedicarboxylate (40.0 g, 125 mmol) (400 mL). The reaction mixture was heated to reflux for 2.5 hours. After completion of the reaction, it was cooled to room temperature and ethanol was removed by distillation under reduced pressure. Subsequently, the reaction mixture was diluted with 200 mL of brine and 300 mL of ethyl acetate. The organic and aqueous layers were separated and the aqueous phase was further extracted with ethyl acetate (2 x 100 mL). All organic layers were combined, washed with brine, dried over anhydrous magnesium sulfate, and concentrated under reduced pressure to give an orange colored oil. Purification by fast column chromatography (silica gel, 40% ethyl acetate/hexane as eluent) gave a clarified colorless oily product (22.6 g, 73% yield). The structure of the product was analyzed by 1H NMR (CDCl3, δ: 7.31-7.30, 5.12, 3.65-3.63, 2.68-2.60, 1.81-1.78) and IR (liquid, cm-1: 1698, 1475, 1454, 1442, 1423, 1331, 1320, 1295, 1270, 1241, 1191 , 1165, 1091, 900, 699) confirmed.

References

[1] Patent: EP1173440, 2004, B1. Location in patent: Page 11
[2] Patent: EP1173440, A1. Location in patent: Page 11
[2] Patent: , 2002, . Location in patent: Page 11
[4] Patent: WO2008/39420, 2008, A2. Location in patent: Page/Page column 32
[5] Bioorganic and Medicinal Chemistry Letters, 2010, vol. 20, # 3, p. 918 - 921

N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE Preparation Products And Raw materials

Raw materials

Preparation Products

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N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE Suppliers

Austria 1 China 83 Germany 2 India 1 Japan 1 United Kingdom 3 United States 15 Global 106

Shanghai Birch Chemical Technology Co., Ltd.

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View Lastest Price from N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE manufacturers

Career Henan Chemical Co

Product: N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE 83621-33-4
Price: US $5.50/KG
Min. Order: 1KG
Purity: 98%min
Supply Ability: 1kg-100kg
Release date: 2020-01-14

83621-33-4, N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONERelated Search:

N-CARBOBENZOXY-DL-ASPARTIC ACID N-Cbz-D-Phenylalanine N-CARBOBENZOXY-DL-SERINE N-Carbobenzoxy-L-homoserine Z-D-GLU-OH Azepan-4-one N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE 1-METHYLAZEPAN-4-ONE

N-CBZ-PERHYDROAZEPIN-4-ONE

N-CBZ-HEXAHYDRO-1H-AZEPIN-4-ONE

PERHYDROAZEPIN-4-ONE, N-CBZ PROTECTED

AZEPAN-4-ONE, N-CBZ PROTECTED

4-OXO-AZEPANE-1-CARBOXYLIC ACID BENZYL ESTER

1-Cbz-hexahydro-4-oxo-1H-azepine

N-CBZ-4-perhydroazepinone N-CBZ-perhydroazepin-4-one

N-CBZ-4-perhydroazepinone

1H-AZEPINE-1-CARBOXYLIC ACID, HEXAHYDRO-4-OXO-, PHENYLMETHYL ESTER

N-Cbz Azepane-4-one

N-CBZ-4-OXOAZEPANE

N-Cbz-azepan-4-one

4-oxoazepane-1-carboxyL

83621-33-4

C14H17O3N

pharmacetical