5978-08-5

Basic information

• Product Name: 5-CHLORO-2-PENTANONE ETHYLENE KETAL
• Synonyms: 2-(3-CHLOROPROPYL)-2-METHYL-1,3-DIOXOLANE;5-CHLORO-2-PENTANONE ETHYLENE KETAL;2,2-(Ethylenedioxy)-5-chloropentane;2-(3-CHLOROPROPYL)-2-METHYL-1 3- &;1,3-Dioxolane, 2-(3-chloropropyl)-2-methyl-;4,4-(Ethylenedioxy)pentyl chloride.;5-CHLORO-2-PENTANONE ETHYLENE KETAL 97%;2-Methyl-(3-chloropropyl)-1,3-dioxolane
• CAS NO: 5978-08-5
• Molecular Formula: C₇H₁₃ClO₂
• Molecular Weight: 164.63
• EINECS: 227-776-5
• Mol File: 5978-08-5.mol

Chemical Properties

• Boiling Point: 73-76 °C7 mm Hg(lit.)
• Flash Point: 163 °F
• Appearance: Clear colorless to light yellow/Liquid
• Density: 1.094 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.387mmHg at 25°C
• Refractive Index: n20/D 1.449(lit.)
• BRN: 104617
• CAS DataBase Reference: 5-CHLORO-2-PENTANONE ETHYLENE KETAL(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-2-PENTANONE ETHYLENE KETAL(5978-08-5)
• EPA Substance Registry System: 5-CHLORO-2-PENTANONE ETHYLENE KETAL(5978-08-5)

Safety Data

• Safety Statements: 23-24/25
• WGK Germany: 3
• F: 21
• Hazardous Substances Data: 5978-08-5(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-CHLORO-2-PENTANONE ETHYLENE KETAL is used as an intermediate compound for the synthesis of various pharmaceuticals. Its unique chemical structure allows it to be a key component in the development of new drugs, particularly those targeting specific biological pathways.
Used in Chemical Synthesis:
In the chemical industry, 5-CHLORO-2-PENTANONE ETHYLENE KETAL serves as a versatile building block for the synthesis of a wide range of organic compounds. Its reactivity and functional groups make it a valuable asset in creating new molecules with specific properties and applications.
Used in Research and Development:
Due to its unique chemical structure, 5-CHLORO-2-PENTANONE ETHYLENE KETAL is used in research and development for exploring new reactions and understanding the behavior of similar compounds. It can provide insights into the synthesis of novel molecules and contribute to the advancement of chemical knowledge.
Used in Material Science:
5-CHLORO-2-PENTANONE ETHYLENE KETAL's properties may also make it suitable for use in the development of new materials with specific characteristics, such as improved stability, reactivity, or selectivity. It could be employed in the creation of advanced materials for various applications, including coatings, adhesives, or polymers.
Used in Preparation of Specific Compounds:
As mentioned in the provided materials, 5-CHLORO-2-PENTANONE ETHYLENE KETAL was used in the preparation of 7-[(4,4-Ethylenedioxy)pentoxy]-2H-1-benzopyran-2-one, indicating its potential use in the synthesis of specific target compounds with desired properties.

InChI:InChI=1/C7H13ClO2/c1-7(3-2-4-8)9-5-6-10-7/h2-6H2,1H3

Upstream product

• 5891-21-4 5-chloro-2-pentanone 
• 107-21-1 ethylene glycol 
• 29021-98-5 3-(2-methyl-[1,3]dioxolan-2-yl)-propan-1-ol 

Downstream Products

• 10412-98-3 5-oxohexanenitrile 
• 6303-82-8 1-phenylhexane-1,5-dione 
• 97023-74-0 1-(4-methylphenyl)-hexane-1,5-dione 
• 3128-06-1 5-ketohexanoic acid 
• 67808-83-7 4,4,5,5-tetramethyl-2-[4-(2-methyl-[1,3]dioxolan-2-yl)-1-phenylsulfanyl-butyl]-[1,3,2]dioxaborolane 
• 66080-33-9 4,4,5,5-tetramethyl-2-[1-methyl-4-(2-methyl-[1,3]dioxolan-2-yl)-1-phenylsulfanyl-butyl]-[1,3,2]dioxaborolane 
• 80376-43-8 5-cyclohex-1-enyl-pentan-2-one 
• 58568-20-0 1-[3-(2-methyl-[1,3]dioxolan-2-yl)-propyl]-cyclohexanol 
• 58568-17-5 2-(4-hydroxy-4-phenylbutyl)-2-methyl-1,3-dioxolane 
• 72693-12-0 6-hydroxyheptan-2-one 
• 689-39-4 6,8-dimethyl-non-5-en-2-one 
• 689-66-7 6,10-dimethyl-undec-5-en-2-one 
• 24199-46-0 6-methyl-5-octen-2-one 
• 928-39-2 hept-6-yn-2-one 

Relevant articles and documents

The first fluorogenic assay for detecting a Baeyer-Villigerase activity in microbial cells

The first fluorogenic assay allowing for detection of microbial enzymes able to perform Baeyer-Villiger oxidation is described. This is based on the use of 4-oxopentyl umbelliferyl ether 1 as a fluorogenic substrate. When Baeyer-Villigerases active against this test ketone are present in the selected whole cells, 1 is transformed into 3-hydroxypropyl umbelliferyl ether 3, which, in a subsequent step, releases the fluorescent product umbelliferone. Different microorganisms, known to be endowed with Baeyer-Villigerase activity, were assayed.

Synthesis method and method for synthesizing plant alcohol, isoplant alcohol and geranyl geraniol by using intermediate farnesylacetone (by machine translation)

The invention relates to a synthesis method of intermediate farnesyl acetone and a method for synthesizing vitamin E, vitamin K1, vitamin K2 side chain isovegetable alcohol, plant alcohol and geranyl geraniol by using farnesyl acetone, and concretely relates to hydrogenation of 5 - farnesyl -2 - acetone and farnesyl acetone through three Grignard reaction to obtain plant ketone. The farnesyl acetone reacts with the vinyl chloride Grignard reagent to obtain geranyl linalool, the aromatic leaf-based geraniol is rearranged under acid catalysis, or farnesyl acetone is directly reacted with the hydroxyl-protected 2 - chloroethanol Grignard reagent to obtain geraniol. The plant alcohol is reacted with the vinyl chloride Grignard reagent to obtain the plant alcohol, and the plant alcohol is directly reacted with the hydroxyl-protected 2 - chloroethanol Grignard reagent to obtain the plant alcohol. The method has the advantages of cheap and easily available starting materials, short synthetic process steps, low product cost and the like. (by machine translation)

Deuterated hydroxychloroquine derivative and pharmaceutical composition containing deuterated hydroxychloroquine derivative

The invention relates to a deuterated hydroxychloroquine derivative and a pharmaceutical composition containing the deuterated hydroxychloroquine derivative. Specifically, the invention discloses a deuterated hydroxychloroquine derivative shown as a formula (I) and a pharmaceutical composition containing the deuterated hydroxychloroquine derivative or a crystal form, pharmaceutically acceptable salt, hydrate or solvate thereof. The compound can be used for treating and/or preventing virus-related diseases, inflammatory diseases or inflammation-related diseases including autoimmune diseases, degenerative diseases, metabolic diseases, cardiovascular diseases, chronic infections, malignant diseases and the like. The deuterated hydroxychloroquine derivative has the advantages of high safety, relatively increased active metabolite, no activity, relatively reduced toxic and side effect metabolite and better pharmacodynamic/pharmacokinetic properties, and can be used as a medicinal effectivecomponent to form a medicinal composition, thereby enhancing the curative effect of the medicament and reducing the toxic and side effects of the medicament.

Novel intermediate for synthesizing teprenone and application of novel intermediate

The invention discloses a novel intermediate for synthesizing teprenone. The novel intermediate is a compound shown as a formula 5. The novel intermediate has the advantages that process routes for synthesizing the teprenone by the compound shown as the formula 5 are simple, raw materials are easily available, reaction conditions are mild, side reaction rarely can be carried out, and accordingly the novel intermediate is favorable for industrial production; the high-purity teprenone can be obtained by the aid of the process routes without rectification, and the requirements on ratios of isomermono-cis-form (5Z, 9E and 13E) to all-trans-forms (5E, 9E and 13E) of the teprenone can be met.

Multi-target-directed design, syntheses, and characterization of fluorescent bisphosphonate derivatives as multifunctional enzyme inhibitors in mevalonate pathway

Background Mevalonate pathway is an important cellular metabolic pathway present in all higher eukaryotes and many bacteria. Four enzymes in mevalonate pathway, including MVK, PMK, MDD, and FPPS, play important regulatory roles in cholesterol biosynthesis and cell proliferation. Methods The following methods were used: cloning, expression and purification of enzymes in mevalonate pathway, organic syntheses of multifunctional enzyme inhibitors, measurement of their IC50 values for above four enzymes, kinetic studies of enzyme inhibitions, molecular modeling studies, cell viability tests, and fluorescence microscopy. Results and conclusions We report our multi-target-directed design, syntheses, and characterization of two blue fluorescent bisphosphonate derivatives compounds 15 and 16 as multifunctional enzyme inhibitors in mevalonate pathway. These two compounds had good inhibition to all these four enzymes with their IC50 values at nanomolar to micromolar range. Kinetic and molecular modeling studies showed that these two compounds could bind to the active sites of all these four enzymes. The fluorescence microscopy indicated that these two compounds could easily get into cancer cells. General significance Multifunctional enzyme inhibitors are generally more effective than single enzyme inhibitors, with fewer side effects. Our results showed that these multifunctional inhibitors could become lead compounds for further development for the treatment of soft-tissue tumors and hypercholesteremia.

Halogenating agent and process for halogenating hydroxyl group

A halogenating agent of the formula (1) and a method of halogenating hydroxyl group wherein R1 and R2 are the same or different and are each ethyl, propyl, isopropyl, butyl, isobutyl or allyl; X is chlorine atom or bromine atom; and Y is chlorine ion, bromine ion, dichlorophosphate ion, dibromophosphate ion, chlorosulfonate ion, bromosulfonate ion, chlorooxalate ion or bromooxalate ion.

Synthesis of retinals labelled with 13C in the cyclohexene ring

In this paper we report the synthesis of five retinals, specifically mono-labelled with 13C at the positions 1,2,3 and 4 and di-labelled with 13 C at the positions 16 and 17, with more than 98percent chemical purity and high 13C incorporation. (1-13C)- and (16,17-13C2) retinal were obtained in 20percent overall yield from (2-13C)- and (1,3-13C2)acetone, (2-13C)- and (3-13C)retinal were prepared in 10percent overall yield from (1-13C)- and (2-13C)acetonitrile, while (4-13C)retinal was synthesized in 17percent overall yield starting from (2-13C)acetonitrile.

Synthesis of Phytone Using Acetylbutyrolactone

The Grignard reagent (II) from 2-(3'-chloropropyl)-2-methyl-1,3-dioxolane on reaction with methylheptenone (I) gives the tertiary alcohol (III), which on dehydration followed by hydrogenation gives hexahydropseudoionone (V).Repetition of the same sequence of reaction on V and IV gives phytone (VII) in quantitative yield.

SYNTHESIS OF SINGLE ISOMERS (E OR Z) OF PROTECTED γ,δ-UNSATURATED KETONES BY THE HORNER-WITTIG REACTION

The lithium derivative of the γ-diphenylphosphinoyl ketal (10a) added to aldehydes and ketones to give stable Horner-Wittig intermediates (11) which were separated and converted into single isomers (E or Z) or γ,δ-unsaturated ketals (12). erythro-Adducts (11) and hence Z-(12), were selectively formed by addition of aldehydes and threo adducts (11), and hence E-(12), by reduction of the corresponding α-diphenylphosphinoyl ketones (13), prepared by acylation of the same γ-diphenylphosphinoyl ketal (10a).