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

Product Name: N-BOC-HEXAHYDRO-1H-AZEPIN-4-ONE
CAS No.: 188975-88-4
Chemical Name: N-BOC-HEXAHYDRO-1H-AZEPIN-4-ONE
Synonyms: tert-Butyl 4-oxoazepane-1-carboxylate;CAS:188975-88-4;BOC-AZEPAN-4-ONE;1-Boc-4-oxoazepane;1-BOC-4-AZEPANONE;CBNuMber: CB2294582;N-BOC-HEXAHYDRO-1H-A;4-Boc-hexahydroazepinone;1-Boc-homopiperazin-4-one;N-Boc-4-perhydroazepinone
CBNumber: CB2294582
Molecular Formula: C11H19NO3
Formula Weight: 213.27
MOL File: 188975-88-4.mol

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

Boiling point:: 90-1000C/0.5mmHg
Density: 1.072±0.06 g/cm3(Predicted)
refractive index: n20/D 1.467
storage temp.: 2-8°C
solubility: Soluble in Chloroform, Dichloromethane, Ethanol and Ethyl Ether.
pka: -1.50±0.20(Predicted)
form: Liquid or Low Melting Solid
color: Colorless to yellow
Sensitive: Air Sensitive
InChI: InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h4-8H2,1-3H3
InChIKey: PMLBUVZPRKXMOX-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)CCCC(=O)CC1
CAS DataBase Reference: 188975-88-4(CAS DataBase Reference)

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Safety

Hazard Codes: Xi,Xn
Risk Statements: 36/37/38-22
Safety Statements: 26-36/37/39
WGK Germany: WGK 3
HazardClass: IRRITANT
HS Code: 29242990
Storage Class: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P302+P352IF ON SKIN: wash with plenty of soap and water.

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

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N-Bromosuccinimide Price

Sigma-Aldrich

Product number: 00833
Product name: N-Boc-hexahydro-1H-azepin-4-one
Purity: ≥95.0% (HPLC)
Packaging: 1G
Price: $301
Updated: 2023/06/20

Sigma-Aldrich

Product number: 00833
Product name: N-Boc-hexahydro-1H-azepin-4-one
Purity: ≥95.0% (HPLC)
Packaging: 5G
Price: $477
Updated: 2023/06/20

TCI Chemical

Product number: B3707
Product name: N-Boc-hexahydro-1H-azepin-4-one
Packaging: 5G
Price: $206
Updated: 2025/07/31

TRC

Product number: B621350
Product name: N-BocAzepan-4-one
Packaging: 5g
Price: $635
Updated: 2021/12/16

Oakwood

Product number: 046229
Product name: tert-butyl4-Oxoazepane-1-carboxylate
Purity: 95%
Packaging: 1g
Price: $14
Updated: 2021/12/16

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

Chemical Properties

Yellow Oil

Uses

It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuffs. It is a fine chemical intermediate.

Synthesis

141642-82-2

188975-88-4

General procedure for the synthesis of tert-butyl 4-oxoazepane-1-carboxylate from ethyl 1-Boc-5-oxoazepane-4-carboxylate: to a solution of 1-tert-butyl 5-oxoazepane-1,4-dicarboxylate (Compound 82.1, 19.0 g, 66.6 mmol) of 1,4-dioxane (190 mL) was added sodium hydroxide (4.00 g) dropwise , 100 mmol) to a solution of water (100 mL). The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the pH was adjusted to 4-5 with 3M aqueous hydrochloric acid solution and extracted with ethyl acetate (2 x 50 mL). The organic phases were combined, washed with brine (2 × 10 mL), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure. The crude product was purified by silica gel column chromatography using ethyl acetate/petroleum ether (1:3) as eluent to afford tert-butyl 4-oxoazepane-1-carboxylate (11 g, 77%) as a yellow oil.

References

[1] Patent: WO2004/35569, 2004, A2. Location in patent: Page/Page column 58
[2] Archiv der Pharmazie, 2013, vol. 346, # 3, p. 200 - 209
[3] Patent: WO2014/8197, 2014, A1. Location in patent: Page/Page column 151
[4] Patent: WO2015/95767, 2015, A1. Location in patent: Page/Page column 166
[5] Patent: WO2005/40169, 2005, A2. Location in patent: Page/Page column 84

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

Raw materials

Preparation Products

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

Austria 1 Canada 1 China 246 France 2 Germany 1 India 7 Switzerland 1 Ukraine 1 United Kingdom 4 United States 27 Global 291

Mashilabs (Shanghai) Co.,Ltd.

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

Hefei Lbao Physical & Chemical Science Co.,Ltd

Product: N-BOC-HEXAHYDRO-1H-AZEPIN-4-ONE 188975-88-4
Price: US $0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: Customise
Release date: 2025-10-28

Henan Aochuang Chemical Co.,Ltd.

Product: N-Boc-hexahydro-1H-azepin-4-one 188975-88-4
Price: US $0.00-0.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 1Ton
Release date: 2022-10-08

Career Henan Chemical Co

Product: N-BOC-HEXAHYDRO-1H-AZEPIN-4-ONE 188975-88-4
Price: US $8.80/KG
Min. Order: 1KG
Purity: 97%-99%
Supply Ability: 100kg
Release date: 2019-08-05

188975-88-4, N-BOC-HEXAHYDRO-1H-AZEPIN-4-ONERelated Search:

ETHANE tert-butyl 5-(2-((Methylsulfonyl)oxy)ethyl)isoindoline-2-carboxylate tert-butyl 5-propionyl-1H-pyrrolo[3,2-b]pyridine-1-carboxylate 4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester N-BOC-5-FORMYLISOINDOLINE tert-butyl 4-oxotetrahydropyrimidine-1(2H)-carboxylate N-BOC-5-(HYDROXYMETHYL)-ISOINDOLINE ETHYL 1-BOC-5-OXO-HEXAHYDRO-1H-AZEPINE-4-CARBOXYLATE ETHYL 1-BOC-4-OXO-3-AZEPANECARBOXYLATE N-BOC-HEXAHYDRO-1H-AZEPIN-4-ONE Azepan-4-one 1-METHYLAZEPAN-4-ONE

N-Boc-4-perhydroazepinone

1H-Azepine-1-carboxylic acid

TERT-BUTYL-HEXAHYDRO-4-OXO-1H-AZEPINE-1-CARBOXYLATE

1-Boc-homopiperazin-4-one

N-Boc-hexahydro-1H-azepin-4-one ,96%

tert-Butyl 4-oxoazepane-1-carboxylate, 1-(tert-Butoxycarbonyl)-4-oxoazepane

N-BOC-HEXAHYDRO-1H-A

1-(tert-Butoxycarbonyl)hexahydroazepin-4-one

1,1-DiMethylethyl 4-Oxohexahydro-1H-azepine-1-carboxylate

Hexahydro-4-oxo-1H-Azepine-1-carboxylic Acid 1,1-DiMethylethyl Ester

CBNuMber: CB2294582

N-Boc-4-oxo-azacycloheptane

1-Boc-4-oxoazepane

tert-Butyl 4-oxoazepane-1-carboxyl

Azepan-4-one, N-BOC protected 95%

1-(1,1-dimethylethoxycarbonyl)-1,2,3,5,6,7-hexahydroazepin-4-one

N-BOC-PERHYDROAZEPIN-4-ONE

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

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

Azepan-4-one, N-BOC protected

tert-Butyl 4-oxoazepane-1-carboxylate

1-Boc-homopipoerazin-4-one

1-BOC-4-AZEPANONE

4-Boc-hexahydroazepinone

N-Boc-hexahydro-1H-azepine-4-one

4-OXOAZEPANE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

BOC-AZEPAN-4-ONE

1-Boc-hexahydro-1H-azepin-4-one

4-N-Boc-hexahydroazepinone

1-Boc-homopiperazin-4-one, tert-Butyl hexahydro-4-oxo-1H-azepine-1-carboxylate

N-Boc-hexahydro-1H-azepin-4-one,98%

ert-butyl4-oxoazepane-1-carboxylate

CAS:188975-88-4

<i>N</i>-Boc-hexahydro-1<i>H</i>-azepin-4-one

188975-88-4

C11H19O3N

pharmacetical

Heterocycles series

Building Blocks/Intermediates

Heterocycles

Miscellaneous Reagents