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447-31-4

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447-31-4 Usage

Chemical Properties

off-white to light beige powder

Purification Methods

For the purification of small quantities recrystallise it from pet ether (b 40-60o), but use MeOH or EtOH for larger quantities. For the latter solvent, dissolve 12.5g of chloride in 45mL of boiling EtOH (95%), filter and the filtrate yields colourless crystals (7.5g) on cooling. A further crop (0.9g) can be obtained by cooling in an ice-salt bath. It turns brown on exposure to sunlight but it is stable in sealed dark containers. The R(+)-enantiomer has m 75-76o (from pet ether) and []546.1 +168.4o (c 0.6, Me2CO) [Roger & Wood J Chem Soc 811 1954]. [Henley & Turner J Chem Soc 1182 1931, Ward Org Synth Coll Vol II 159 1943, Beilstein 7 H 436, 7 I 234, 7 II 369, 7 III 2106, 7 IV 1396.]

Check Digit Verification of cas no

The CAS Registry Mumber 447-31-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 4,4 and 7 respectively; the second part has 2 digits, 3 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 447-31:
(5*4)+(4*4)+(3*7)+(2*3)+(1*1)=64
64 % 10 = 4
So 447-31-4 is a valid CAS Registry Number.
InChI:InChI=1/C14H11ClO/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13H/t13-/m0/s1

447-31-4 Well-known Company Product Price

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  • Alfa Aesar

  • (B21778)  Desyl chloride, 98%   

  • 447-31-4

  • 5g

  • 357.0CNY

  • Detail
  • Alfa Aesar

  • (B21778)  Desyl chloride, 98%   

  • 447-31-4

  • 25g

  • 1017.0CNY

  • Detail
  • Alfa Aesar

  • (B21778)  Desyl chloride, 98%   

  • 447-31-4

  • 100g

  • 2820.0CNY

  • Detail

447-31-4SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name DESYL CHLORIDE

1.2 Other means of identification

Product number -
Other names Desyl Chloride

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:447-31-4 SDS

447-31-4Relevant academic research and scientific papers

Synthesis and evaluation of novel diphenylthiazole derivatives as potential anti-inflammatory agents

Abdelazeem, Ahmed H.,Habash, Maha,Maghrabi, Ibrahim A.,Taha, Mutasem O.

, p. 3681 - 3695 (2015)

In the presented study, we synthesized a novel series of 18 diphenylthiazole derivatives and tested their anti-inflammatory properties. They showed significant anti-inflammatory properties in inflamed mice paws animal model. Docking-based analysis suggested that they act as COX enzyme inhibitors. The most potent compound 9e is significantly more active in reducing inflamed animal paws compared to diclofenac. Accordingly, we believe these compounds are good leads for further development into potent anti-inflammatory drugs.

Design, Synthesis, and Anti-Inflammatory Evaluation of Novel Diphenylthiazole-Thiazolidinone Hybrids

Abdelazeem, Ahmed H.,Salama, Samir A.,Maghrabi, Ibrahim A.

, p. 518 - 530 (2015)

A series of diphenylthiazole-thiazolidinone hybrids was synthesized and evaluated in vitro and in vivo as anti-inflammatory/analgesic agents. The inhibition of cyclooxygenase (COX) enzymes was suggested as a molecular mechanism for the hybrids to exert their anti-inflammatory action. Of these compounds, 13b, 14, and 15b showed the most potent COX inhibitory activity with IC50 values between 2.03 and 12.27 μM, but with different selectivity profiles. All compounds were further evaluated in vivo for their anti-inflammatory/analgesic activities using three animal models. Interestingly, the results of the COX assay were in agreement with those of in vivo assays where the most potent COX inhibitors, 13b, 14, and 15b, exhibited the highest anti-inflammatory/analgesic activities compared to diclofenac. On the contrary, compounds 11 and 12 were the least potent ligands in vitro and in vivo as well.

Design, synthesis and biological evaluation of novel diphenylthiazole-based cyclooxygenase inhibitors as potential anticancer agents

Abdelazeem, Ahmed H.,Gouda, Ahmed M.,Omar, Hany A.,Tolba, Mai F.

, p. 132 - 141 (2014)

Non-steroidal anti-inflammatory drugs (NSAIDs) are among the most widely used medications as analgesics and antipyretics. Currently, there is a growing interest in their antitumor activity and their ability to reduce the risk and mortality of several cancers. While several studies revealed the ability of NSAIDs to induce apoptosis and inhibit angiogenesis in cancer cells, their exact anticancer mechanism is not fully understood. However, both cyclooxygenase (COX)-dependent and -independent pathways were reported to have a role. In an attempt to develop new anticancer agents, a series of diphenylthiazole substituted thiazolidinone derivatives was synthesized and evaluated for their anticancer activity against a panel of cancer cell lines. Additionally, the inhibitory activity of the synthesized derivatives against COX enzymes was investigated as a potential mechanism for the anticancer activity. Cytotoxicity assay results showed that compounds 15b and 16b were the most potent anticancer agents with half maximal inhibitory concentrations (IC50) between 8.88 and 19.25?μM against five different human cancer cell lines. Interestingly, COX inhibition assay results were in agreement with that of the cytotoxicity assays where the most potent anticancer compounds showed good COX-2 inhibition comparable to that of celecoxib. Further support to our results were gained by the docking studies which suggested the ability of compound 15b to bind into COX-2 enzyme with low energy scores. Collectively, these results demonstrated the promising activity of the newly designed compounds as leads for subsequent development into potential anticancer agents.

Access to α,α-dihaloacetophenones through anodic C[dbnd]C bond cleavage in enaminones

Bu, Jiping,Huang, Zijun,Li, Shaoke,Ma, Xiantao,Wu, Kairui,Yang, Jiusi,Yu, Renjie,Zhang, Zhenlei

, (2021/12/20)

We have developed a method to synthesize α,α-dihaloketones under electrochemical conditions. In this reaction, the Cl- or Br- is oxidized to Cl2 or Br2 at the anode, which undergoes two-step addition reactions with the N,N-dimethyl enaminone, and finally breaks C[dbnd]C of the N,N-dimethyl enaminone to generate α,α-dihaloketones. The electrosynthesis reaction can be conveniently carried out in an undivided electrolytic cell at room temperature. In addition, various functional groups are compatible with this green protocol which can be applied simultaneously to the gram scale without significantly lower yield.

Thiourea-Mediated Halogenation of Alcohols

Mohite, Amar R.,Phatake, Ravindra S.,Dubey, Pooja,Agbaria, Mohamed,Shames, Alexander I.,Lemcoff, N. Gabriel,Reany, Ofer

, p. 12901 - 12911 (2020/11/26)

The halogenation of alcohols under mild conditions expedited by the presence of substoichiometric amounts of thiourea additives is presented. The amount of thiourea added dictates the pathway of the reaction, which may diverge from the desired halogenation reaction toward oxidation of the alcohol, in the absence of thiourea, or toward starting material recovery when excess thiourea is used. Both bromination and chlorination were highly efficient for primary, secondary, tertiary, and benzyl alcohols and tolerate a broad range of functional groups. Detailed electron paramagnetic resonance (EPR) studies, isotopic labeling, and other control experiments suggest a radical-based mechanism. The fact that the reaction is carried out at ambient conditions, uses ubiquitous and inexpensive reagents, boasts a wide scope, and can be made highly atom economic, makes this new methodology a very appealing option for this archetypical organic reaction.

High yield preparation method of selexipag intermediate compound under middle conditions

-

Paragraph 0057-0058, (2019/03/15)

The invention relates to a high yield preparation method of a selexipag intermediate compound under middle conditions. According to the method, styracitol and halogen acid carry out halogenation reactions, and the reaction product and N-aminoacetyl-N-isopropyl n-butanol carry out condensation, ammoxidation, and ring forming reactions to obtain 2-(N-isopropyl-N-4-hydroxylbutyl)amino-5,6-diphenylpyrazine. The compound can be used to prepare selexipag. The raw materials are cheap and easily available, the operation is simple, convenient and safe, the reaction selectivity is good, the yield and purity are high, and the cost is low.

The Mn-catalyzed paired electrochemical facile oxychlorination of styrenes: Via the oxygen reduction reaction

Tian, Siyu,Jia, Xiaofei,Wang, Ling,Li, Baoying,Liu, Siyuan,Ma, Li,Gao, Wei,Wei, Yingqin,Chen, Jianbin

supporting information, p. 12104 - 12107 (2019/10/14)

Reported herein is the electrochemical engendering of chlorine radicals by a manganese catalyst with a controllable pattern, and inexpensive MgCl2 as the chlorine source. In combination with the oxygen reduction reaction, chloroacetophenones were synthesized with abundant styrene as the feedstock in good to excellent yields.

CV-driven Optimization: Cobalt-Catalyzed Electrochemical Expedient Oxychlorination of Alkenes via ORR

Tian, Siyu,Lv, Shide,Jia, Xiaofei,Ma, Li,Li, Baoying,Zhang, Guofeng,Gao, Wei,Wei, Yingqin,Chen, Jianbin

supporting information, p. 5626 - 5633 (2019/11/22)

Instead of screening reaction conditions by yield-based chemical trial-and-error, potential-based cyclic voltammetry was alternatively employed for optimization of electrochemical oxychlorination of alkenes. With this unconventional screening method, the catalyst system including catalysts, molar ratio of chloride sources and solvents were identified in a rational, time- and energy-efficient manner. The optimal catalytic system in combination with oxygen reduction reaction enabled broad substrate scopes for the desired transformation by taking advantages of persistent radical effect. UV-vis and CV titration experiments confirmed the in-situ formed catalytic species [CoCl5]. Moreover, cyclic voltammetry was applied to obtain mechanistic insights in our reaction system. (Figure presented.).

Coupling of Sulfoxonium Ylides with Arynes: A Direct Synthesis of Pro-Chiral Aryl Ketosulfoxonium Ylides and Its Application in the Preparation of α-Aryl Ketones

Talero, Alexánder Garay,Martins, Bruna Sim?es,Burtoloso, Antonio C. B.

, p. 7206 - 7211 (2018/11/23)

A general, mild, and versatile synthesis of the challenging α-aryl-β-ketosulfoxonium ylides has been developed for the first time, substituting traditional methods starting from diazo compounds. The arylation of easily accessible β-ketosulfoxonium ylides using aryne chemistry allowed the preparation of a large scope of the pro-chiral ylides in very good yields (40 examples; up to 85%). As applications, these ylides were smoothly converted into α-aryl ketones after desulfurization in good yields (up to 98%) as well as in other important derivatives.

Design, synthesis and analgesic/anti-inflammatory evaluation of novel diarylthiazole and diarylimidazole derivatives towards selective COX-1 inhibitors with better gastric profile

Abdelazeem, Ahmed H.,El-Saadi, Mohammed T.,Safi El-Din, Asmaa G.,Omar, Hany A.,El-Moghazy, Samir M.

, p. 665 - 676 (2016/12/30)

The inhibition of gastric cyclooxygenase 1 (COX-1) enzyme was believed to be the major cause of non-steroidal anti-inflammatory drugs (NSAIDs)-induced gastric ulcer. Recent studies disproved this belief and showed that the gastric tissues vulnerability is not solely connected to COX-1 inhibition. This work aimed at exploring and rationalizing the differential analgesic and anti-inflammatory activities of novel selective COX-1 inhibitors with improved gastric profile. Two novel series of 4,5-diarylthiazole and diarylimidazole were designed, synthesized in analogy to selective COX-1 inhibitors (mofezolac and FR122047) which lack gastric damaging effects. The new compounds were evaluated in vitro for their COXs inhibitory activity and in vivo for their anti-inflammatory and analgesic potentials. Four compounds; diphenylthiazole glycine derivatives (15a, 15b) and diphenylimidazolo acetic acid derivatives (19a, 19b), which possess carboxylic acid group exhibited significant activity and selectivity against COX-1 over COX-2. Of these compounds, (4,5-bis(4-methoxyphenyl)thiazol-2-yl)glycine 15b was the most potent compound against COX-1 with an inhibitory half maximal concentration (IC50) of 0.32 μM and a selectivity index (COX-2 IC50/COX-1 IC50) of 28.84. Furthermore, an ulcerogenicity study was performed where the tested compounds demonstrated a significant gastric tolerance. Interestingly, the most selective COX-1 inhibitor showed higher analgesic activity in vivo as expected compared to their moderate anti-inflammatory activity. This study underscores the need for further design and development of novel analgesic agents with low tendency to cause gastric damage based on improving their COX-1 affinity and selectivity profile.

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