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4-methoxypent-3-en-2-one, also known as PMK methyl glycidate, is a chemical compound that serves as a precursor in the synthesis of MDMA, a widely known synthetic drug. It is classified as a Schedule II substance in the United States and is subject to strict regulation and monitoring by law enforcement and drug control authorities due to its potential use in the illicit production of MDMA.

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  • 2845-83-2 Structure
  • Basic information

    1. Product Name: 4-methoxypent-3-en-2-one
    2. Synonyms: 4-methoxypent-3-en-2-one;4-Methoxy-3-penten-2-one;Einecs 220-641-1
    3. CAS NO:2845-83-2
    4. Molecular Formula: C6H10O2
    5. Molecular Weight: 114.1424
    6. EINECS: 220-641-1
    7. Product Categories: N/A
    8. Mol File: 2845-83-2.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 173℃
    3. Flash Point: 60℃
    4. Appearance: /
    5. Density: 0.916
    6. Vapor Pressure: 1.27mmHg at 25°C
    7. Refractive Index: 1.42
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 4-methoxypent-3-en-2-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: 4-methoxypent-3-en-2-one(2845-83-2)
    12. EPA Substance Registry System: 4-methoxypent-3-en-2-one(2845-83-2)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 2845-83-2(Hazardous Substances Data)

2845-83-2 Usage

Uses

Used in Pharmaceutical Industry:
4-methoxypent-3-en-2-one is used as a chemical intermediate for the synthesis of MDMA, a psychoactive drug that is sometimes used in research or as a recreational substance. However, it is important to note that the production, distribution, and use of MDMA are illegal without proper permits and licenses, and the use of 4-methoxypent-3-en-2-one in this context is strictly regulated.
It is crucial to emphasize that the use of 4-methoxypent-3-en-2-one in the synthesis of MDMA is a legal and ethical concern, and its application in this context is not endorsed or encouraged. 4-methoxypent-3-en-2-one's availability is restricted, and any use outside of legal and regulated frameworks is prohibited.

Check Digit Verification of cas no

The CAS Registry Mumber 2845-83-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,8,4 and 5 respectively; the second part has 2 digits, 8 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 2845-83:
(6*2)+(5*8)+(4*4)+(3*5)+(2*8)+(1*3)=102
102 % 10 = 2
So 2845-83-2 is a valid CAS Registry Number.
InChI:InChI=1/C6H10O2/c1-5(7)4-6(2)8-3/h4H,1-3H3/b6-4+

2845-83-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-Methoxypent-3-en-2-one

1.2 Other means of identification

Product number -
Other names -

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:2845-83-2 SDS

2845-83-2Relevant articles and documents

Novel Potent Selective Orally Active S1P5 Receptor Antagonists

Ma, Bin,Guckian, Kevin M.,Liu, Xiao-Gao,Yang, Chunhua,Li, Bing,Scannevin, Robert,Mingueneau, Micha?l,Drouillard, Annabelle,Walzer, Thierry

supporting information, (2021/02/01)

S1P5 is one of the five sphingosine-1-phosphate (S1P) receptors which play important roles in immune and CNS cell homeostasis, growth, and differentiation. Little is known about the effect of modulation of S1P5 due to the lack of S1P5 specific modulators with suitable druglike properties. Here we describe the discovery and optimization of a novel series of potent selective S1P5 antagonists and the identification of an orally active brain-penetrant tool compound 15.

One-pot formal synthesis of biorenewable terephthalic acid from methyl coumalate and methyl pyruvate

Lee, Jennifer J.,Kraus, George A.

, p. 2111 - 2116 (2014/04/17)

Diverse functionalized aromatic compounds are constructed from captodative dienophiles with exclusive regioselectivity. 100% biorenewable dimethyl terephthalate (DMT) from methyl coumalate and methyl pyruvate is achieved in a one-pot, Diels-Alder/decarboxylation/elimination sequence in nearly quantitative yield. The DMT system is solvent-free and purification is accomplished through recrystallization. DMT hydrolysis reveals the co-monomer terephthalic acid (TPA) as a bio-based drop-in replacement for the polymer industry, avoiding harsh oxidation and petrochemicals. the Partner Organisations 2014.

S1P MODULATING AGENTS

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Page/Page column 40, (2014/08/19)

Compounds of formula (I) can modulate the activity of one or more S 1P receptors. Sphingosine 1-phosphate (S IP) is a lysophospholipid mediator that evokes a variety of cellular responses by stimulation of five members of the endothelial cell differentiation gene (EDG) receptor family, namely S1P1, S1P2, S1P3, S1P4, and S1P5 (formerly EDG1, EDG5, EDG3, EDG6 and EDG8). The EDG receptors are G-protein coupled receptors (GPCRs) and on stimulation propagate second messenger signals via activation of heterotrimeric G-protein alpha (Ga.) subunits and beta-gamma (G()y) dimers.

BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS

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Page/Page column 138, (2011/02/24)

Compounds that have agonist activity at one or more of the SlP receptors are provided. The compounds are sphingosine analogs that, after phosphorylation, can behave as agonists at SlP receptors.

The Reaction of 3-(1-Imidazolyl)-2-alken-1-ones with Nucleophiles

Kashima, C.,Tajima, T.,Shimizu, M.,Omote, Y.

, p. 1325 - 1328 (2007/10/02)

Generally 3-hetero-substituted 2-alken-1-ones were prepared from 1,3-alkanediones, 3-chloro-2-alken-1-ones, or conjugated ynones.The preparation of 3-hetero-substituted 2-alken-1-ones was subjected to some limitations by these methods.By the reaction of 3-(1-imidazolyl)-2-alken-1-ones (I) and 3-(3-oxo-1-alkenyl)-1-methylimidazolium iodides (II) with nucleophiles, 3-hetero-substituted 2-alken-1-ones could be obtained regioselectively in good yield under mild conditions.These results suggested that compounds I and II were concluded to be useful intermediates for the organic synthesis.

The Allopolarization Principle and its Applications, IV. Substituent Effects in the Methylation of Enolate Anions

Gompper, Rudolf,Vogt, Hans-Hubert

, p. 2866 - 2883 (2007/10/02)

The ratio of O- and C-methylated products in the reaction of the sodium salts of acetophenones 1, propiophenones 3, phenylacetones 5, β-dicarbonyl compounds 12, α-cyanocarbonyl compounds 13, acetaldehyde, propionaldehyde, and diethylketone with dimethyl sulfate, methyl iodide, and trimethyl phosphate in HMPTA has been determined with regard to the effect of substituents.In some cases the influence of solvents, concentration and temperature has also been studied.

The Allopolarization Principle and its Applications, VI. The Alkylation of Enolate Anions: Polarity and Regioselectivity

Gompper, Rudolf,Vogt, Hans-Hubert,Wagner, Hans-Ulrich

, p. 1644 - 1652 (2007/10/02)

The O/C methylation ratio in the reaction of sodium enolates with dimethylsulfate depends on the polar (electronic) effect of substituents.The relative ?-charge density Px/y = lx/ly can be used as a measure for the polarity of ambifunctional anions; in case of enolate anions PO/C = lO/lC.The change of the regioselectivity Sf = log QO/QC in the alkylation of enolates is a function of a change in the polarity PO/C; ΔSf=f(ΔPx/y).The polar effect of substituents influences the charge control during the alkylation process via a change of the polarity of the enolate system: The higher the polarity of the anion, the stronger the charge control and the higher the yield of enol ether (O-alkylation). - Keywords: Alkylation, Enolate Anions

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