ChemicalBook > CAS DataBase List > N-BOC-HEXAHYDRO-1H-AZEPIN-4-ONE

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
HazardClass 
IRRITANT
HS Code 
29242990
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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

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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
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  • Heterocycles
  • Miscellaneous Reagents