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NISTC4590527

Product Name
NISTC4590527
CAS No.
4590-52-7
Chemical Name
NISTC4590527
Synonyms
NISTC4590527;7-Fluoro-3,4-dihydroquinolin-2(1H);7-fluoro-3,4-dihydro-2(1H)-Quinolinone;7-Fluoro-3,4-dihydroquinolin-2(1H)-one;2(1H)-Quinolinone, 7-fluoro-3,4-dihydro-
CBNumber
CB61249439
Molecular Formula
C9H8FNO
Formula Weight
165.16
MOL File
4590-52-7.mol
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NISTC4590527 Property

Boiling point:
305.8±42.0 °C(Predicted)
Density 
1.241±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
pka
14.01±0.20(Predicted)
Appearance
White to off-white Powder
InChI
InChI=1S/C9H8FNO/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1,3,5H,2,4H2,(H,11,12)
InChIKey
KUWDWKUKAVRBKW-UHFFFAOYSA-N
SMILES
N1C2=C(C=CC(F)=C2)CCC1=O
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Safety

HS Code 
2933491090
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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

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

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.

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

P321Specific treatment (see … on this label).

P330Rinse mouth.

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

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC
Product number
F600385
Product name
7-Fluoro-3,4-dihydroquinolin-2(1H)-one
Packaging
25mg
Price
$45
Updated
2021/12/16
Ark Pharm
Product number
P000503847
Product name
7-Fluoro-3,4-dihydroquinolin-2(1H)-one
Purity
95+%
Packaging
100mg
Price
$99
Updated
2021/12/16
Ark Pharm
Product number
P000503847
Product name
7-Fluoro-3,4-dihydroquinolin-2(1H)-one
Purity
95+%
Packaging
250mg
Price
$158
Updated
2021/12/16
Apolloscientific
Product number
PC906505
Product name
7-Fluoro-3,4-dihydroquinolin-2(1H)-one
Purity
>98%
Packaging
250mg
Price
$199
Updated
2021/12/16
Apolloscientific
Product number
PC906505
Product name
7-Fluoro-3,4-dihydroquinolin-2(1H)-one
Purity
>98%
Packaging
100mg
Price
$140
Updated
2021/12/16
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NISTC4590527 Chemical Properties,Usage,Production

Uses

7-Fluoro-3,4-dihydroquinolin-2(1H)-one is a useful reagent in the multicomponent one-pot synthesis of 3,4-dihydroquinolinones.

Synthesis

100638-26-4

4590-52-7

General procedure for the synthesis of 7-fluoro-3,4-dihydroquinolin-2(1H)-one from 3-chloro-N-(3-fluorophenyl)propanamide: 3-chloro-N-(3-fluorophenyl)propanamide (10 g, 49.6 mmol) and AlCl3 (23.1 g, 173.6 mmol) were added to a flame-dried 50 mL flask equipped with a magnetic stir bar. The flask was placed in a preheated oil bath, heated to 120-125 °C and kept for 2 h until LC-MS analysis showed that the reaction was complete. After completion of the reaction, the mixture was cooled to room temperature and the reaction was quenched by the slow addition of ice water. The reaction mixture was extracted with EtOAc and the organic phases were combined and washed sequentially with water and saturated brine. The organic layer was dried with anhydrous Na2SO4, filtered and concentrated under reduced pressure to afford the white solid product 7-fluoro-3,4-dihydroquinolin-2(1H)-one (7.63 g, 93.2% yield).

References

[1] Patent: WO2016/66597, 2016, A1. Location in patent: Page/Page column 39
[2] Patent: WO2016/86200, 2016, A1. Location in patent: Page/Page column 273; 274
[3] Patent: WO2012/94462, 2012, A2. Location in patent: Page/Page column 86
[4] Patent: CN106349241, 2017, A. Location in patent: Paragraph 0488; 0492; 0493; 0494; 0495
[5] Patent: WO2008/42735, 2008, A1. Location in patent: Page/Page column 59

NISTC4590527 Preparation Products And Raw materials

Raw materials

Preparation Products

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NISTC4590527 Suppliers

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View Lastest Price from NISTC4590527 manufacturers

Career Henan Chemical Co
Product
NISTC4590527 4590-52-7
Price
US $9.80/KG
Min. Order
1g
Purity
≥99%
Supply Ability
100kg
Release date
2020-01-09

4590-52-7, NISTC4590527Related Search:


  • 7-Fluoro-3,4-dihydroquinolin-2(1H)
  • 2(1H)-Quinolinone, 7-fluoro-3,4-dihydro-
  • NISTC4590527
  • 7-Fluoro-3,4-dihydroquinolin-2(1H)-one
  • 7-fluoro-3,4-dihydro-2(1H)-Quinolinone
  • 4590-52-7
  • 4548-50-6