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Cas Database

1577-03-3

1577-03-3

Identification

Synonyms:1-Penten-3-one,1-(p-chlorophenyl)-4,4-dimethyl- (7CI,8CI);1,1-Dimethylethyl 4-chlorostyrylketone;1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one;4,4-Dimethyl-1-(p-chlorophenyl)-1-penten-3-one;4-Chlorobenzalpinacolone;NSC203322;NSC 636688;

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Safety information and MSDS view more

  • Signal Word:no data available

  • Hazard Statement:no data available

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician. In case of skin contact Wash off with soap and plenty of water. Consult a physician. In case of eye contact Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

  • Fire-fighting measures: Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Store in cool place. Keep container tightly closed in a dry and well-ventilated place.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price view more

  • Manufacture/Brand
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  • Manufacture/Brand:Crysdot
  • Product Description:1-(4-Chlorophenyl)-4,4-dimethylpent-1-en-3-one 95+%
  • Packaging:1g
  • Price:$ 772
  • Delivery:In stock
  • Buy Now
  • Manufacture/Brand:American Custom Chemicals Corporation
  • Product Description:1-(4-CHLOROPHENYL)-4,4-DIMETHYLPENT-1-EN-3-ONE 95.00%
  • Packaging:100MG
  • Price:$ 727.65
  • Delivery:In stock
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Relevant articles and documentsAll total 7 Articles be found

Design, synthesis and neuraminidase inhibitory activity of N-(5-benzyl-4-(tert-butyl)thiazol-2-yl)benzamides

Wu, Zhilin,Peng, Junmei,Hu, Aixi,Ye, Jiao,Li, Guoxi

, p. 356 - 368 (2016)

A series of N-(5-benzyl-4-(tert-butyl)thiazol-2-yl)benzamides were synthesized and the structures were characterized by 1H NMR, MS and elemental analyses. The crystal structures of compounds F5 and F16 were determined by single-crystal X-ray diffraction. The neuraminidase inhibitory activities of compounds F1-F32 were evaluated in vitro at the concentration of 40 μg/mL. The results indicated that compounds F8, F26 and F32 exhibited most potent inhibitory activity against NA. Molecular docking was performed by LeDock to further explain the structure-activity relationship of compound F26. The docking modeling showed that compound F26 was in good combination with oseltamivir binding sites of NA and could be a potential NA inhibitor agent.

2-Oxindole Acts as a Synthon of 2-Aminobenzoyl Anion in the K2CO3-Catalyzed Reaction with Enones: Preparation of 1,4-Diketones Bearing an Amino Group and Their Further Transformations

Miao, Chun-Bao,Zeng, Yu-Mei,Shi, Tong,Liu, Rui,Wei, Peng-Fei,Sun, Xiao-Qiang,Yang, Hai-Tao

, p. 43 - 50 (2016/01/15)

A convenient approach for the synthesis of 1,4-diketones bearing an amino group has been developed through the K2CO3-catalyzed reaction of 2-oxindoles with enones with the assistance of atmospheric O2 via sequential Michael addition-oxidation-ring-cleavage process. The further intramolecular reaction leads to the formation of benzoazepinone, quinoline, and 3-oxindole derivatives.

Discovery and optimization of 1,3,5-trisubstituted pyrazolines as potent and highly selective allosteric inhibitors of protein kinase C-χ

Abdel-Halim, Mohammad,Diesel, Britta,Kiemer, Alexandra K.,Abadi, Ashraf H.,Hartmann, Rolf W.,Engel, Matthias

supporting information, p. 6513 - 6530 (2014/10/15)

There is increasing evidence that the atypical protein kinase C, PKCχ, might be a therapeutic target in pulmonary and hepatic inflammatory diseases. However, targeting the highly conserved ATP-binding pocket in the catalytic domain held little promise to

Process route upstream and downstream products

Process route

3,3-dimethyl-butan-2-one
75-97-8

3,3-dimethyl-butan-2-one

4-chlorobenzaldehyde
104-88-1

4-chlorobenzaldehyde

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

Conditions
Conditions Yield
With tert-butylhydroquinone; potassium hydroxide; In methanol; at 43 ℃; for 12h; Reagent/catalyst; Temperature;
96.8%
With potassium hydroxide; In methanol; water; at 20 ℃;
95%
3,3-dimethyl-butan-2-one; 4-chlorobenzaldehyde; sodium hydroxide; In water; at 130 - 160 ℃; for 0.05 - 0.25h;
With acetic acid; In water; Conversion of starting material;
sodium hydroxide; In water; at 160 - 162 ℃; for 0.03h; Conversion of starting material;
With sodium hydroxide; In water;
With sodium hydroxide;
With sodium hydroxide; In ethanol; at 60 ℃; for 2.5h; Cooling with ice;
1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

Conditions
Conditions Yield
With potassium hydroxide; In methanol; water; at 20 ℃; Cooling with ice;
95%
4-Chlor-benzaldehyd, 3.3-Dimethyl-butan-2-on, wss. Natronlauge, A.;
1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one
66346-01-8

1-(4-chlorophenyl)-4,4-dimethyl-pentan-3-one

Conditions
Conditions Yield
With sulfolane; hydrogen; In methanol; at 50 - 60 ℃; under 750.075 Torr; Temperature; Pressure; Reagent/catalyst; Autoclave;
99%
With sodium phosphite; hydrogen; ethanolamine; In methanol; at 70 ℃; under 6750.68 Torr; Reagent/catalyst; Temperature; Pressure; Autoclave;
97.8%
With hydrogen; In ethanol; at 80 ℃; for 2h; under 22502.3 Torr;
p-toluene sulfinic acid
536-57-2

p-toluene sulfinic acid

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

1-(4-chlorophenyl)-4,4-dimethyl-1-p-toluenesulfonylpentan-3-one

1-(4-chlorophenyl)-4,4-dimethyl-1-p-toluenesulfonylpentan-3-one

Conditions
Conditions Yield
In ethanol;
94%
1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

thiophenol
108-98-5

thiophenol

1-(4-chlorophenyl)-4,4-dimethyl-1-phenylthiopentan-3-one

1-(4-chlorophenyl)-4,4-dimethyl-1-phenylthiopentan-3-one

Conditions
Conditions Yield
With triethylamine; In ethanol;
nitromethane
75-52-5

nitromethane

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

5-(4-chlorophenyl)-2,2-dimethyl-6-nitrohexan-3-one

5-(4-chlorophenyl)-2,2-dimethyl-6-nitrohexan-3-one

Conditions
Conditions Yield
With potassium carbonate; In ethanol; Reflux;
4-hydroxy[1]benzopyran-2-one
1076-38-6,92395-12-5

4-hydroxy[1]benzopyran-2-one

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

C<sub>22</sub>H<sub>21</sub>ClO<sub>4</sub>

C22H21ClO4

Conditions
Conditions Yield
With N-benzyl-N,N,N-triethylammonium chloride; In water; Reflux;
2-(1H-pyrrol-1-yl)propanenitrile
64608-69-1

2-(1H-pyrrol-1-yl)propanenitrile

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

8-tert-butyl-6-(4-chlorophenyl)-5-methylindolizine
1443442-42-9

8-tert-butyl-6-(4-chlorophenyl)-5-methylindolizine

Conditions
Conditions Yield
2-(1H-pyrrol-1-yl)propanenitrile; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.0833333h;
1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one; In tetrahydrofuran; Further stages; Inert atmosphere;
80%
2-oxoindole
59-48-3

2-oxoindole

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

C<sub>20</sub>H<sub>22</sub>ClNO<sub>2</sub>

C20H22ClNO2

Conditions
Conditions Yield
With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 17h;
52%
2-oxoindole
59-48-3

2-oxoindole

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one
1577-03-3

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

2-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxobutyl)indolin-3-one

2-(4-chlorophenyl)-2-(3,3-dimethyl-2-oxobutyl)indolin-3-one

Conditions
Conditions Yield
With oxygen; caesium carbonate; In dimethyl sulfoxide; at 80 ℃; for 25h;
40%

Global suppliers and manufacturers

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  • Antimex Chemical Limied
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  • Skyrun Industrial Co.,Ltd
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  • Main Products:17
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  • PRIME MOLECULAR CO.,LIMITED
  • Business Type:Trading Company
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  • Emails:sales@prime-molecular.com
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