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CROTONYL CHLORIDE, also known as butenoyl chloride, is a chemical compound with the formula C4H5ClO. It is a colorless to pale yellow liquid with a pungent odor, and it is highly reactive and flammable. CROTONYL CHLORIDE is primarily used as a chemical intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds. Additionally, it is utilized in the synthesis of fine chemicals and as a reagent in organic chemistry reactions. Due to its corrosive and toxic nature, CROTONYL CHLORIDE is a hazardous chemical that must be handled and stored with care, and should only be used by trained professionals in a well-ventilated environment with appropriate personal protective equipment.

10487-71-5

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10487-71-5 Usage

Uses

Used in Pharmaceutical Industry:
CROTONYL CHLORORIDE is used as a chemical intermediate for the synthesis of various pharmaceuticals, contributing to the development of new drugs and improving the efficacy of existing medications.
Used in Agrochemical Industry:
CROTONYL CHLORIDE is used as a chemical intermediate in the production of agrochemicals, aiding in the creation of pesticides and other agricultural chemicals to protect crops and enhance agricultural productivity.
Used in Organic Compounds Synthesis:
CROTONYL CHLORIDE is used as a reagent in the synthesis of a wide range of organic compounds, facilitating the formation of complex molecules and expanding the scope of organic chemistry.
Used in Fine Chemicals Synthesis:
CROTONYL CHLORIDE is used as a reagent in the synthesis of fine chemicals, which are high-purity, specialty chemicals used in various industries, including pharmaceuticals, fragrances, and flavors.
Used in Organic Chemistry Research:
CROTONYL CHLORIDE is used as a reagent in various organic chemistry reactions, enabling researchers to explore new reaction pathways and develop innovative synthetic methods.

Check Digit Verification of cas no

The CAS Registry Mumber 10487-71-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,0,4,8 and 7 respectively; the second part has 2 digits, 7 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 10487-71:
(7*1)+(6*0)+(5*4)+(4*8)+(3*7)+(2*7)+(1*1)=95
95 % 10 = 5
So 10487-71-5 is a valid CAS Registry Number.
InChI:InChI=1/C4H5ClO/c1-2-3-4(5)6/h2-3H,1H3/b3-2-

10487-71-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name Crotonyl Chloride

1.2 Other means of identification

Product number -
Other names 2-Butenoyl 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:10487-71-5 SDS

10487-71-5Related news

Low resolution spectra and conformations of CROTONYL CHLORIDE (cas 10487-71-5) and crotyl alcohol08/04/2019

The low resolution spectra of crotonyl chloride and crotyl alcohol have been studied in the microwave R-band region. The spectroscopic constant (B + C) has been evaluated for both molecules. These data have been used to obtain conformational information for these molecules.detailed

Aza-annulation of enaminones with CROTONYL CHLORIDE (cas 10487-71-5) — Formal reversal of regioselectivity08/02/2019

The regiochemistry of aza-annulation of enaminones with α,β-unsaturated acid chlorides bearing hydrogen atoms on the γ-carbon is reversed when triethylamine is used as mediator. When the reaction was carried out at lower temperatures a 3-acyl β,γ-unsaturated compound could be isolated which...detailed

Spectroscopic studies on CROTONYL CHLORIDE (cas 10487-71-5) and dimethyl acryl chloride08/01/2019

Infrared spectra of liquid samples of crotonyl chloride and dimethyl acryl chloride in the region 4000-600 cm−1 have been recorded along with the Raman spectra in the region 4000-100 cm−1. From CNDO/2 results and some band splitting, existence of conformers are inferred. A complete assignment of...detailed

10487-71-5Relevant academic research and scientific papers

Synthesis of Succinimides via Intramolecular Alder-Ene Reaction of 1,6-Enynes

Chen, Xia,Lu, Yuling,Guan, Zhenhua,Gu, Lianghu,Chen, Chunmei,Zhu, Hucheng,Luo, Zengwei,Zhang, Yonghui

, p. 3173 - 3178 (2021)

A novel and convenient method has been developed for the facile synthesis of functionalized succinimide derivatives via intramolecular Alder-ene reaction of 1,6-enynes. This reaction features mild and metal-free reaction conditions, which offers a green and efficient entry to synthetically important succinimide scaffolds. Preliminary mechanistic studies suggest that a diradical intermediate might be involved in this transformation.

New indenyl titanium catalysts for syndiospecific styrene polymerizations

Ready, Thomas E.,Chien, James C.W.,Rausch, Marvin D.

, p. 11 - 27 (1999)

A series of multi-methyl-substituted indenes as well as allylindene, n-propylindene, n-but-1-enylindene, and n-butylindene have been prepared in good yields. The substituted indenes were converted into trimethylsilyl derivatives via reactions of intermediate organolithium complexes with chlorotrimethylsilane. The corresponding titanium complexes were synthesized in excellent yields from reactions of the trimethylsilyl derivatives with TiCl4. The titanium complexes were evaluated as styrene polymerization catalysts in toluene solution when activated by methylaluminoxane. In general, catalytic activities decreased with each additional methyl substituent. Syndiospecificities were very high (90-95%).

Safe, selective, and high-yielding synthesis of acryloyl chloride in a continuous-flow system

Movsisyan, Marine,Heugebaert, Thomas S. A.,Dams, Rudy,Stevens, Christian V.

, p. 1945 - 1952 (2016)

Acid chlorides are an important class of compounds and their high reactivity and instability has prompted us to develop a straightforward procedure for their synthesis with ondemand and on-site synthesis possibilities. The focus of this report is acryloyl chloride, mainly important for the acrylate and polymer industry. A continuous-flow methodology was developed for the fast and selective synthesis of the otherwise highly unstable acryloyl chloride. Three routes were investigated in a microreactor setup and all three can potentially be used for its production. The methodology was further expanded to the synthesis of other unstable acid chlorides by both the thionyl chloride and the oxalyl chloride mediated processes. The most sustainable method was the oxalyl chloride mediated procedure under solvent-free conditions, in which nearequimolar amounts of carboxylic acid and oxalyl chloride were used in the presence of catalytic amounts of DMF at room temperature. Within 1 to 3 min, nearly full conversions into the acid chlorides were achieved.

Stereodivergent, Chemoenzymatic Synthesis of Azaphilone Natural Products

Pyser, Joshua B.,Baker Dockrey, Summer A.,Benítez, Attabey Rodríguez,Joyce, Leo A.,Wiscons, Ren A.,Smith, Janet L.,Narayan, Alison R. H.

, p. 18551 - 18559 (2019)

Selective access to a targeted isomer is often critical in the synthesis of biologically active molecules. Whereas small-molecule reagents and catalysts often act with anticipated site- and stereoselectivity, this predictability does not extend to enzymes. Further, the lack of access to catalysts that provide complementary selectivity creates a challenge in the application of biocatalysis in synthesis. Here, we report an approach for accessing biocatalysts with complementary selectivity that is orthogonal to protein engineering. Through the use of a sequence similarity network (SSN), a number of sequences were selected, and the corresponding biocatalysts were evaluated for reactivity and selectivity. With a number of biocatalysts identified that operate with complementary site- and stereoselectivity, these catalysts were employed in the stereodivergent, chemoenzymatic synthesis of azaphilone natural products. Specifically, the first syntheses of trichoflectin, deflectin-1a, and lunatoic acid A were achieved. In addition, chemoenzymatic syntheses of these azaphilones supplied enantioenriched material for reassignment of the absolute configuration of trichoflectin and deflectin-1a based on optical rotation, CD spectra, and X-ray crystallography.

Rhodium(III)-Catalyzed Aerobic Oxidative C-H Olefination of Unsaturated Acrylamides with Unactivated Olefins

Logeswaran, Ravichandran,Jeganmohan, Masilamani

, p. 767 - 771 (2021)

A rhodium(III)-catalyzed aerobic oxidative cross-coupling of acrylamides with unactivated alkenes via vinylic C-H activation has been developed. The present cross-coupling reaction was examined with a variety of differently functionalized acrylamides and unactivated olefins. In these reactions, highly valuable amide-functionalized butadienes were prepared in good to excellent yields. This protocol was also compatible with Weinreb amides. A possible reaction mechanism involving the chelation-assisted vinylic C-H activation via a carboxylate-assisted deprotonation pathway is proposed.

Synthesis of coumaperine derivatives: Their NF-κB inhibitory effect, inhibition of cell migration and their cytotoxic activity

Nandakumar, Natarajan,Muthuraman, Subramani,Gopinath, Pushparathinam,Nithya, Pattusamy,Gopas, Jacob,Kumar, Rajendran Saravana

, p. 1076 - 1087 (2017)

Coumaperine (an amide alkaloid, present in white piper) and its derivatives were synthesized and investigated for their cytotoxicity against L428 and A549 cells and their NF-κB inhibitory activity. It was found that the coumaperine derivatives CP-9 and CP-38 suppress NF-κB subunits p50 and p65 in nuclear fractions by western blot and by NF-κB luciferase reporter gene assay in a dose dependent manner. Confirmation of these results was obtained by confocal microscopy. CP-9, CP-32 and CP-38 also exhibited dose dependent cell cytotoxicity in a L428?cells expressing constitutively active NF-κB and in A549?cells, with an IC50 value of 43.25?μg/ml, 0.39?μg/ml and 16.85?μg/ml respectively against L428?cells and 57.15?μg/ml, 69.1?μg/ml and 63.2?μg/ml respectively against A549?cells. In addition, the coumaperine derivatives show remarkable inhibitory activity on the cancer cell migration assay against A549 lung adenocarcinoma cells at the concentrations of 5?μg/ml, 10?μg/ml, and 5?μg/ml of CP-9, CP-32 and CP-38 respectively. Aromatic substituents and number of olefinic double bond in coumaperine derivatives found to influence the inhibitory activity. In luciferase reporter gene assay, di-olefin conjugated coumaperine derivatives, CP-38, CP-32 and PIP exhibited higher inhibitory activity than their corresponding tri-olefin conjugated coumaperine derivatives, CP-102, CP-146 and PIP-155 respectively. CP-32 with a stronger electron donating group (-N(CH3)2) showed better inhibitory activity in luciferase reporter gene assay and in cell proliferation of L428?cells. Simple coumaperine derivative (CP-9, with no substituent) effectively inhibited A549?cells proliferation and migration than the other coumaperine derivatives. CP-9 and CP-38 diminish significantly the NF-κB subunits (p50 and p65) of L428?cells in nuclear fractions at the dosage of 10?μg/ml and 30?μg/ml respectively. Which clearly shows that CP-9 and CP-38 inactivate the NF-κB pathway in?vitro.

SYNTHESE REGIOSPECIFIQUE D'AMIDO-1 VINYL-2 CYCLOPROPANES A PARTIR DE LITHIENS ALLYLIQUES MONOHALOGENES ET D'AMIDES TERTIAIRES α-ETHYLENIQUIES

Ongoka, Pascal,Mauze, Bernard,Miginiac, Leone

, p. 131 - 140 (1987)

Chloroallyllitium and gem-chloro(methyl)allyllithium readly react, via conjugated addition and cyclisation, with α-ethylenic aliphatic tertiary amides to produce, in a "one-pot" reaction, alkyl-substituted 1-amido-2-vinylcyclopropanes.

Structure activity studies with xenobiotic substrates using carboxylesterases isolated from Arabidopsis thaliana

Cummins, Ian,Landrum, Marie,Steel, Patrick G.,Edwards, Robert

, p. 811 - 818 (2007)

Carboxylesterases (CXEs) catalyse the hydrolysis of xenobiotics and natural products radically altering their biological activities. Whereas the substrate selectivity of animal CXEs, such as porcine liver esterase (PLE) have been well studied, the respective enzymes in plants have yet to be defined and their activities determined. Using Arabidopsis thaliana (At) as a source, five representative members of the α/β hydrolase AtCXE family of proteins have been cloned, expressed and the purified recombinant proteins assayed for esterase activity with xenobiotic substrates. Two members, AtCXE5 and AtCXE18 were found to be active carboxylesterases, though AtCXE5 proved to be highly unstable as a soluble protein. AtCXE18 and the previously characterised S-formylglutathione hydrolase from Arabidopsis (AtSFGH) were assayed against a series of esters based on methylumbelliferone in which the acyl moiety was varied with respect to size and conformation. The same series was used to assay crude esterase preparation from Arabidopsis plants and the results compared with those obtained with the commonly used PLE. With straight chain esters, AtCXE18 behaved like PLE, but the Arabidopsis hydrolases proved less tolerant of branched chain acyl components than the mammalian enzyme. While none of the enzyme preparations accurately reflected all the activities determined with crude Arabidopsis protein extracts, the plant enzymes proved more useful than PLE in predicting the hydrolysis of the more sterically constrained esters.

Selective α-arylation of α,β-unsaturated imides mediated by a visible light photoredox catalyst

Ando, Yuki,Kamatsuka, Takuto,Shinokubo, Hiroshi,Miyake, Yoshihiro

, p. 9136 - 9138 (2017)

Visible light-mediated α-arylation of α,β-unsaturated imides is achieved via aminium radicals generated from diarylalkylamines using a photoredox catalyst. On the basis of emission quenching experiments, a plausible pathway of the reaction is discussed.

Synthesis of thiolactone building blocks as potential precursors for sustainable functional materials

Frank, Daniel,Espeel, Pieter,Claessens, Sven,Mes, Edwin,Du Prez, Filip E.

, p. 6616 - 6625 (2016)

A library of multifunctional monomers from homocysteine thiolactone and thioparaconic acid were synthesized using straightforward chemistry routes. A generic protocol was developed, leading to multi-gram amounts of the targeted compounds and enabling up-scaling experiments for promising compounds in the area of functional coatings. Aspects considered during selection of targets and synthesis pathways included functional diversity, expected physical properties, sustainability and commercial availability of reagents, as well as feasibility to achieve an industrially relevant process. Trends were observed in yield, physical properties and chemical behavior.

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