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1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE, also known as 3-chloroacetophenone, is a chemical compound with the formula C10H11ClO. It is a yellowish crystalline powder with a pungent, irritating odor and is soluble in organic solvents. 1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals.
Used in Pharmaceutical Industry:
1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs and medications.
Used in Agrochemical Industry:
1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE is used as a chemical intermediate in the production of insecticides, herbicides, and other agricultural chemicals. Its properties make it a valuable component in creating effective pest control solutions.
Used in Chemical Weapon Precursors:
1-(3-CHLORO-PHENYL)-BUTANE-1,3-DIONE has been identified as a potential chemical weapon precursor. Due to its potential for misuse, it is subject to regulation under the Chemical Weapons Convention and is tightly controlled and monitored by regulatory agencies.

128486-09-9

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128486-09-9 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 128486-09-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,8,4,8 and 6 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 128486-09:
(8*1)+(7*2)+(6*8)+(5*4)+(4*8)+(3*6)+(2*0)+(1*9)=149
149 % 10 = 9
So 128486-09-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H9ClO2/c1-7(12)5-10(13)8-3-2-4-9(11)6-8/h2-4,6H,5H2,1H3

128486-09-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(3-chlorophenyl)butane-1,3-dione

1.2 Other means of identification

Product number -
Other names 1-(3-chlorophenyl)-1,3-butanedione

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:128486-09-9 SDS

128486-09-9Relevant academic research and scientific papers

I2-Promoted [3+2] Cyclization of 1,3-Diketones with Potassium Thiocyanate: a Route to Thiazol-2(3H)-One Derivatives

An, Zhenyu,Liu, Yafeng,Yan, Rulong,Zhao, Pengbo

supporting information, p. 3240 - 3244 (2021/06/16)

An I2-promoted strategy has been developed for the synthesis of thiazol-2(3H)-one derivatives from 1,3-diketones with potassium thiocyanate. This [3+2] cyclization reaction involves C?S and C?N bond formation and exhibits good functional group tolerance. A series of thiazol-2(3H)-one derivatives are obtained in moderate to good yields. (Figure presented.).

Discovery of pyrazole N-aryl sulfonate: A novel and highly potent cyclooxygenase-2 (COX-2) selective inhibitors

Guo, Quanping,Wang, Mengran,Wang, Rui,Xu, Zhaoqing,Yao, Haiyan

, (2021/08/25)

Based on a new pyrazole sulfonate synthetic method, a novel class of molecules with a basic structure of pyrazole N-aryl sulfonate have been designed and synthesized. The interest in conducting intensive research stems from quite evident anti-inflammatory effects exhibited by the compounds in preliminary animal experiments. A series of compounds were synthesized by different substitutions of the R1, R2, and R3 groups. Within the series, 4-iodophenyl 5-methyl-3-(p-tolyl)-1H-pyrazole-1-sulfonate and phenyl 5-methyl-3-(4-(trifluoromethyl) phenyl)-1H-pyrazole-1-sulfonate exhibited excellent anti-inflammatory activity (% inhibition of auricular edemas = 27.0 and 35.9, respectively); the in vivo analgesic activity of phenyl 5-methyl-3-(p-tolyl)-1H-pyrazole-1-sulfonate and 2-chlorophenyl 5-methyl-3-(p-tolyl)-1H-pyrazole-1-sulfonate was confirmed to be effective (inhibition ratio of writhing = 50.7% and 48.5% separately), and compounds phenyl 5-methyl-3-(p-tolyl)-1H-pyrazole-1-sulfonate, 4-iodophenyl 5-methyl-3-(p-tolyl)-1H-pyrazole-1-sulfonate and 2-chlorophenyl 5-methyl-3-(p-tolyl)-1H-pyrazole-1-sulfonate were identified as selective COX-2 inhibitors (SI = 455, 10,497 and >189 severally). In Acute Oral Toxicity assays conducted in vivo, the lethal dose 50 (LD50) of 4-iodophenyl 5-methyl-3-(p-tolyl)-1H-pyrazole-1-sulfonate and 2-chlorophenyl 5-methyl-3-(p-tolyl)-1H-pyrazole-1-sulfonate to mice was >2000 mg/kg BW.

Direct synthesis of 2,3,5-trisubstituted pyrroles: via copper-mediated one-pot multicomponent reaction

He, Jian-Ping,Huang, Guo-Sheng,Luo, Nan,Zhan, Zhen-Zhen,Zhang, Ming-Ming

supporting information, p. 9831 - 9835 (2021/01/05)

We have developed a copper-mediated one-pot synthesis of 2,3,5-trisubstituted pyrroles from 1,3-dicarbonyl compounds and acrylates using ammonium acetate as a nitrogen source. The reaction achieves C-C and C-N bond formation and provides an efficient approach to access highly functionalized pyrroles without further raw material preparation. This method is operationally simple, compatible with a wide range of functional groups, and provides the target products in moderate to good yields. This journal is

Pyrazole compound containing N-aryl sulfonate and synthesis and application thereof

-

Paragraph 0036, (2018/07/10)

The invention discloses a pyrazole compound containing N-aryl sulfonate. A structural formula of the pyrazole compound is shown in the description. Proofed by pharmacological study, the pyrazole compound has the advantages that the activity of cyclooxygenase 2 is inhibited; the high-efficiency inhibition function on the generation of cyclooxygenase 2 due to inflammation mediums is realized, so that the pyrazole compound can be used as an active matter, and the prepared anti-inflammation medicine can be used for treating the inflammations, such as rheumatic arthritis and rheumatalgia, and the diseases and symptoms, such as fevers.

O -Iodoxybenzoic Acid (IBX)-Iodine Mediated One-Pot Deacylative Sulfonylation of 1,3-Dicarbonyl Compounds: A Synthesis of β-Carbonyl Sulfones

Katrun, Praewpan,Songsichan, Teerawat,Soorukram, Darunee,Pohmakotr, Manat,Reutrakul, Vichai,Kuhakarn, Chutima

supporting information, p. 1109 - 1121 (2017/02/24)

A combination of o-iodoxybenzoic acid (IBX) and a catalytic amount of iodine is found to promote a facile one-pot deacylative sulfonylation reaction of 1,3-dicarbonyl compounds with sodium sulfinates to yield β-carbonyl sulfones. The present method provides the target products bearing a wide variety of functional groups in one step and in good yields.

PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS

-

Page/Page column 105, (2011/02/24)

A compound of Formula I, enantiomers, diasteriomers, tautomers or pharmaceutically acceptable salts thereof, wherein R1, R2 and R3 are defined herein, are useful as inhibitors of one or more Janus kinases. A pharmaceutical

Synthesis of 5-acyl-3,4-dihydropyrimidine-2-thiones via solvent-free, solution-phase and solid-phase Biginelli procedures

Comas, Horacio,Buisson, David-Alexandre,Najman, Romain,Kozielski, Frank,Rousseau, Bernard,Lopez, Roman

scheme or table, p. 1737 - 1740 (2009/12/05)

Compounds belonging to the 5-acyl-3,4-dihydropyrimidine-2-thione family were obtained using a solvent-free Biginelli condensation with or without the use of a catalyst. An unprecedented solid-phase procedure involving a polymer-supported aldehyde allowed

Triketoacid inhibitors of HIV-integrase: A new chemotype useful for probing the integrase pharmacophore

Walker, Michael A.,Johnson, Timothy,Ma, Zhuping,Banville, Jacques,Remillard, Roger,Kim, Oak,Zhang, Yunhui,Staab, Andrew,Wong, Henry,Torri, Albert,Samanta, Himadri,Lin, Zeyu,Deminie, Carol,Terry, Brian,Krystal, Mark,Meanwell, Nicholas

, p. 2920 - 2924 (2007/10/03)

Integrase is one of three enzymes expressed by HIV and represents a validated target for therapy. This study reports on the discovery of a new triketoacid-based chemotype that selectively inhibits the strand transfer reaction of HIV-integrase. SAR studies showed that the template binds to integrase in a manner similar to the diketoacid-based inhibitors. Moreover, comparison of the new chemotype to two different diketoacid templates led us to propose two aryl-binding domains in the inhibitor binding site. This information was used to design a new diketoacid template with improved activity against the enzyme.

PYRROLOPYRIDAZINE DERIVATIVES

-

Page 77, (2008/06/13)

The invention relates to compound of the formula (I) or its salt, in which R1, R2, R3 and R4 are as defined in the description, their use of as medicament, the process for their preparation and use for the treatment of PDE-IV or TNF-α mediated diseases.

Pyrazolyl acrylic acid- and pyrazolyl oximino-acetic acid derivatives, their preparation and their use as fungicides

-

, (2008/06/13)

The present invention relates to novel pyrazole derivatives represented by general formula (I), preparation thereof, and fungicides in agriculture and horticulture and for industrial materials which contain the said derivatives as active ingredients. wher

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