ChemicalBook > CAS DataBase List > 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one

1,2,3,4-Tetrahydro-benzo[b]azepin-5-one

Product Name
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one
CAS No.
1127-74-8
Chemical Name
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one
Synonyms
Tovaptan impurity 13;1,2,3,4-Tetrahydrobenzoazepine-5-one;1,2,3,4-Tetrahydro-1-benzazepin-5-one;1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE;5-oxo-2,3,4,5-tetrahydro-1H-benzazepine;1,2,3,4-tetrahydrobenzo[b]azepin-5-tone;3,4-dihydro-1H-benzo[b]azepin-5(2H)-one;2,3,4,5-tetrahydro-1H-1-benzazepin-5-one;1,2,3,4-Tetrahydro-5H-1-benzazepin-5-one;1,2,3,4-Tetrahydrobenzazepine-5-one, 97%
CBNumber
CB2357010
Molecular Formula
C10H11NO
Formula Weight
161.2
MOL File
1127-74-8.mol
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1,2,3,4-Tetrahydro-benzo[b]azepin-5-one Property

Boiling point:
314.6±12.0 °C(Predicted)
Density 
1.100±0.06 g/cm3(Predicted)
storage temp. 
2-8°C(protect from light)
pka
3.05±0.20(Predicted)
form 
Powder
color 
White to light green
InChI
InChI=1S/C10H11NO/c12-10-6-3-7-11-9-5-2-1-4-8(9)10/h1-2,4-5,11H,3,6-7H2
InChIKey
NKRKBYFBKLDCFB-UHFFFAOYSA-N
SMILES
N1C2=CC=CC=C2C(=O)CCC1
CAS DataBase Reference
1127-74-8(CAS DataBase Reference)
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Safety

HazardClass 
IRRITANT
HS Code 
2933998090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

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

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P322Specific measures (see …on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P363Wash contaminated clothing before reuse.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC
Product number
P991965
Product name
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one
Packaging
50mg
Price
$45
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0017090
Product name
1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE
Purity
95.00%
Packaging
500MG
Price
$791.52
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0017090
Product name
1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE
Purity
95.00%
Packaging
1G
Price
$866.13
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0017090
Product name
1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE
Purity
95.00%
Packaging
5G
Price
$1473.32
Updated
2021/12/16
AK Scientific
Product number
X9031
Product name
1,2,3,4-Tetrahydrobenzo[b]azepin-5-one
Packaging
1g
Price
$27
Updated
2021/12/16
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1,2,3,4-Tetrahydro-benzo[b]azepin-5-one Chemical Properties,Usage,Production

Synthesis

Polyphosphoric acid (25g) was heated at 100°C under nitrogen until it could be stirred. 1-(Toluene-4-sulfonyl)-1,2,3,4-tetrahydro-benzo[b]azepin-5-one (2.6g, 8.2 6mmol) was added portion-wise and the reaction mixture was heated at 100°C for 1.5h. It was poured into ice and basified with 2M NaOH(aq). The aqueous layer was extracted twice with dichloromethane. The organic extracts were combined, washed with brine, dried and reduced in vacuo. The residue was purified by flash chromatography on silica gel (eluant; 40percent EtOAc: 60percent hexane) to yield 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one (1.05g, 79percent).

References

[1] Journal of Medicinal Chemistry, 2018, vol. 61, # 19, p. 8670 - 8692
[2] Patent: WO2006/21213, 2006, A2. Location in patent: Page/Page column 34
[3] Patent: WO2005/37796, 2005, A1. Location in patent: Page/Page column 39
[4] Journal of Organic Chemistry, 2016, vol. 81, # 8, p. 3136 - 3148

1,2,3,4-Tetrahydro-benzo[b]azepin-5-one Preparation Products And Raw materials

Raw materials

Preparation Products

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1,2,3,4-Tetrahydro-benzo[b]azepin-5-one Suppliers

China 159 Europe 2 Germany 3 India 6 United Kingdom 9 United States 23 Global 202
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View Lastest Price from 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one manufacturers

ZHENGZHOU JIUYI TIME NEW MATERIALS CO,.LTD
Product
1,2,3,4-Tetrahydrobenzo[b]azepin-5-one 1127-74-8
Price
US $1.10-9.90/kg
Min. Order
1kg
Purity
99%min
Supply Ability
100kg
Release date
2025-08-18
Shaanxi Dideu Medichem Co. Ltd
Product
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one 1127-74-8
Price
US $0.10/KG
Min. Order
1KG
Purity
98.0%
Supply Ability
10
Release date
2024-07-14
Career Henan Chemical Co
Product
1,2,3,4-Tetrahydro-benzo[b]azepin-5-one 1127-74-8
Price
US $1.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
1000KG
Release date
2018-08-12

1127-74-8, 1,2,3,4-Tetrahydro-benzo[b]azepin-5-oneRelated Search:

7-Chloro-1,2,3,4-tetrahydrobenzo(b)azepin-5-one 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one 3-AMINO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE 3-Bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one 8-METHOXY-2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE 1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE 1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE 7-BROMO-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE 4-BROMO-1-(TOLUENE-4-SULFONYL)-1,2,3,4-TETRAHYDROBENZO[B]AZEPIN-5-ONE 1H-[1]-BENZAZEPHE-2,5(3H, 4H)-DIONE 7,9-DIMETHYL-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE 2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE 7-AMINO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE 7-BROMO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE 8-CHLORO-1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE 8-AMINO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE 8-METHOXY-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE 7-NITRO-1,3,4,5-TETRAHYDRO-BENZO[B]AZEPIN-2-ONE

  • 1,2,3,4-tetrahydrobenzo[b]azepin-5-tone
  • 5-oxo-2,3,4,5-tetrahydro-1H-benzazepine
  • 5H-1-Benzazepin-5-one, 1,2,3,4-tetrahydro-
  • 1,2,3,4-tetrahydro-5H-benzo[b]azepin-5-one
  • 1,2,3,4-TETRAHYDRO-BENZO[B]AZEPIN-5-ONE
  • 1,2,3,4-Tetrahydrobenzoazepine-5-one
  • 1,2,3,4-Tetrahydrobenzazepine-5-one, 97%
  • 1,2,3,4-Tetrahydro-5H-1-benzazepin-5-one
  • 3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
  • 2,3,4,5-tetrahydro-1H-1-benzazepin-5-one
  • 3,4-Dihydro-1H-benzo[b]azepin-5(2H)-one 96%
  • 1,2,3,4-Tetrahydro-1-benzazepin-5-one
  • Tovaptan impurity 13
  • 1,2,3,4-Tetrahydro-benzo[b]azepin-5-one, CAS 1127-74-8
  • 1127-74-8
  • Building Blocks/Intermediates
  • pharmacetical