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2-cyclohexen-1-one, 3-[(4-fluorophenyl)amino]-5,5-dimethyl is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

100445-51-0

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100445-51-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 100445-51-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,0,0,4,4 and 5 respectively; the second part has 2 digits, 5 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 100445-51:
(8*1)+(7*0)+(6*0)+(5*4)+(4*4)+(3*5)+(2*5)+(1*1)=70
70 % 10 = 0
So 100445-51-0 is a valid CAS Registry Number.

100445-51-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one

1.2 Other means of identification

Product number -
Other names 3-(4-Fluoro-phenylamino)-5,5-dimethyl-cyclohex-2-enone

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:100445-51-0 SDS

100445-51-0Relevant academic research and scientific papers

Synthesis, characterization, in silico molecular docking study and biological evaluation of a 5-(phenylthio) pyrazole based polyhydroquinoline core moiety

Sapariya, Nirav H.,Vaghasiya, Beena K.,Thummar, Rahul P.,Kamani, Ronak D.,Patel, Kirit H.,Thakor, Parth,Thakkar, Sampark S.,Ray, Arabinda,Raval, Dipak K.

, p. 10686 - 10694 (2017)

A multicomponent cyclocondensation reaction has been developed by incorporating 3-methyl-5-substituted phenylthio-1-phenyl-1H-pyrazole-4-carbaldehydes 3a-c, various enaminones 6a-c and different active methylene compounds 7a-c (malononitrile 7a/ethylcayno

Cyclic enaminone as new chemotype for selective cyclooxygenase-2 inhibitory, anti-inflammatory, and analgesic activities

Kumar, Raj,Saha, Nirjhar,Purohit, Priyank,Garg, Sanjeev K.,Seth, Kapileswar,Meena, Vachan S.,Dubey, Sachin,Dave, Khyati,Goyal, Rohit,Sharma, Shyam S.,Banerjee, Uttam C.,Chakraborti, Asit K.

, (2019)

The cyclic enaminone moiety has been identified as a new scaffold for selective inhibition of cyclooxygenase-2 with anti-inflammatory and analgesic activities. The designed cyclic enaminones have been synthesized conveniently through the development of a new catalyst-free methodology and evaluated for cyclooxygenase (COX-1 and COX-2) inhibitory activities. Three compounds 7d, 8, and 9 predominantly inhibited COX-2 with selectivity index of 74.09, 19.45 and 108.68, respectively, and were assessed for in vivo anti-inflammatory activity in carrageenan induced rat paw edema assay. The anti-inflammatory activity of 7d was comparable to that of celecoxib at a dose of 12.5 mg/kg. However, the compounds 8 and 9 were more/equally effective as anti-inflammatory agent compared to celecoxib at the doses of 12.5 mg/kg and 25 mg/kg and also exhibited anti-inflammatory activity comparable to that of diclofenac. The therapeutic potential of the most active compound 9 was further assessed by performing in vivo thermal and mechanical hyperalgesia tests using various models that revealed its analgesic activity. The in vivo non-ulcerogenicity of 9 revealed the gastrointestinal safety as compared to the non-selective COX inhibitor indomethacin. The in vitro antioxidant activity and in vivo experiments on heart rate and blood pressure provided the cardiovascular safety profile of 9. The molecular docking studies rationalize the COX-2 selectivity of the newly found anti-inflammatory compounds 7d, 8, and 9.

Synthesis, characterization and biological activity of some new carbostyril bearing 1H-pyrazole moiety

Thumar, Nilesh J.,Patel, Manish P.

, p. 1751 - 1761 (2012/11/13)

In this study, 16 new 4-pyrazolyl-N-arylquinoline-2,5-dione 4 have been synthesized by the multicomponent reaction of pyrazole-4-carbaldehyde 1, Meldrum's acid 2 and 3-aryl-5,5-disubstitutedcyclohex-2-enone 3. The structures of compounds 4 were established by the combined use of 1HNMR, 13C NMR, FT-IR and mass spectra. All the 16 compounds were tested in vitro for their bacterial and fungal activity against a list of human pathogens, namely, Bacillus subtilis, Clostridium tetani, Streptococcus pneumoniae, Salmonella typhi, Vibrio cholerae, Escherichia coli, Aspergillus fumigatus and Candida albicans, using broth microdilution MIC (minimum inhibitory concentration) method. Some of the compounds were found to be the most effective analogs against the tested bacterial and fungal strains. Springer Science+Business Media, LLC 2011.

Synthesis and antimicrobial activity of some new N-substituted quinoline derivatives of 1H-pyrazole

Thumar, Nilesh J.,Patel, Manish P.

experimental part, p. 91 - 101 (2011/09/21)

A new series of 32 derivatives of 4-pyrazolyl-N-(hetero)arylquinoline 5a-p and 6a-p were synthesized by a one-pot base-catalyzed cyclocondensation reaction of 1-phenyl-3-(hetero)aryl-pyrazole-4-carbaldehyde 1a-h, malononitrile 2, and 3-(hetero)aryl-5,5-disubstitutedcyclohex-2-enone 3a-b or 4a-b, respectively. All the synthesized compounds were characterized by elemental analysis, FT-IR, 1H-NMR, and 13C-NMR spectral data. All the synthesized compounds were screened, against six bacterial pathogens, namely Bacillus subtilis, Clostridium tetani, Streptococcus pneumoniae, Salmonella typhi, Vibrio cholerae, Escherichia coli, and antifungal activity, against two fungal pathogens Aspergillus fumigatus and Candida albicans, using broth microdilution MIC method. Some of the compounds were found to be more or equipotent against most of the employed strains than commercially available drugs as evident from the screening data. Quinoline derivatives are known to exhibit a wide range of biological activities. Therefore, a series of some new 1,4-di(hetero)aryl quinoline derivatives bearing a 1H-pyrazole nucleus have been synthesized and were evaluated for their antimicrobial activities against a panel of human pathogens. Copyright

NaHSO4/SiO2: An efficient catalyst for the synthesis of β-enaminones and 2-methylquinolin-4(1H)-ones under solvent-free condition

Sapkal, Suryakant B.,Shelke, Kiran F.,Shingate, Bapurao B.,Shingare, Murlidhar S.

experimental part, p. 723 - 726 (2011/03/19)

An efficient and simplified protocol for NaHSO4/SiO2 catalyzed solvent-free synthesis of β-enaminone and 2-methylquinolin-4(1H)- one derivatives under microwave irradiation is described. A series of functionalized derivatives have been synthesized in shorter reaction times with moderate to good yields. The use of milder catalyst in non-conventional method offers significant advantages over conventional methods, such as higher selectivities, simplicity, solvent-free reaction and non-environmental polluting conditions.

Raection of dimedone enamines with α-ketoacids

Viswanathan, Narayanaiyer,Rawle, Ninad Namdeo,Gawad, Dilip Harischandra

, p. 2760 - 2773 (2007/10/02)

Reaction of enaminoketones (1), derived from dimedone, with pyruvic acid gave the lactams (2) and (3).Compounds (2) were dehydrated to (3) with acetic anhydride.In the case of (2j), two diastereoisomers were isolated due to restricted rotation of the N-ar

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