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Methylmalonylchloride, also known as chloro(methyl)acetyl, is a chemical compound with the molecular formula C4H7ClO2. It is a colorless liquid with a pungent odor and is commonly used as a reagent in organic synthesis. This versatile compound can undergo various chemical reactions, including nucleophilic substitution and addition reactions.

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  • 20656-61-5 Structure
  • Basic information

    1. Product Name: Methylmalonylchloride
    2. Synonyms: Methyl 2-Chloro 2-formyl acetate;Methylformyl chloroacetate;Methyl 2-chloro-3-oxopropanoate;2-Chloro-3-oxo-propionic acid methyl ester;Methyl 2-chloro-3-oxopropionate;Methyl chloromalonaldehydate;Propanoic acid, 2-chloro-3-oxo-, Methyl ester;Methyl 2-chloro-2-formylethanoate, Methyl 2-chloro-3-oxopropionate
    3. CAS NO:20656-61-5
    4. Molecular Formula: C4H5ClO3
    5. Molecular Weight: 136.5337
    6. EINECS: N/A
    7. Product Categories: Halogen compounds
    8. Mol File: 20656-61-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 156℃
    3. Flash Point: 64℃
    4. Appearance: /
    5. Density: 1.274
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 4.07±0.29(Predicted)
    10. CAS DataBase Reference: Methylmalonylchloride(CAS DataBase Reference)
    11. NIST Chemistry Reference: Methylmalonylchloride(20656-61-5)
    12. EPA Substance Registry System: Methylmalonylchloride(20656-61-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: IRRITANT
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 20656-61-5(Hazardous Substances Data)

20656-61-5 Usage

Uses

Used in Pharmaceutical Synthesis:
Methylmalonylchloride is used as a reagent for the synthesis of pharmaceuticals, contributing to the development of new medications and therapeutic agents.
Used in Agrochemical Production:
In the agrochemical industry, Methylmalonylchloride is utilized as a reagent in the synthesis of various agrochemicals, aiding in the production of substances that protect crops and enhance agricultural productivity.
Used in Specialty Chemicals:
Methylmalonylchloride is employed as a reagent in the synthesis of specialty chemicals, which are used in a wide range of applications, from industrial processes to consumer products.
Used in Electronics Industry:
Methylmalonylchloride is used in the preparation of compounds for use in the electronics industry, playing a role in the development of advanced electronic components and materials.
Safety Precautions:
It is important to handle Methylmalonylchloride with caution as it can be corrosive and harmful if inhaled, ingested, or if it comes into contact with skin. Therefore, proper safety measures and precautions should be taken when working with this compound.

Check Digit Verification of cas no

The CAS Registry Mumber 20656-61-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,6,5 and 6 respectively; the second part has 2 digits, 6 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 20656-61:
(7*2)+(6*0)+(5*6)+(4*5)+(3*6)+(2*6)+(1*1)=95
95 % 10 = 5
So 20656-61-5 is a valid CAS Registry Number.

20656-61-5SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 2-chloro-3-oxopropanoate

1.2 Other means of identification

Product number -
Other names Methyl 2-Chloro-2-formylacetate

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:20656-61-5 SDS

20656-61-5Relevant articles and documents

Selenium-containing compounds and their use in treatment of neuro-degenerative diseases

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Paragraph 0089; 0097-0099, (2020/12/30)

The present invention relates to compounds of Formula I or pharmaceutically acceptable salts, solvates or pro-drugs thereof. The invention also relates to a preparation method of the compound or the pharmaceutically acceptable salt, solvate or prodrug thereof, a pharmaceutical composition containing the compound or the pharmaceutically acceptable salt, solvate or prodrug thereof and application ofthe compound or the pharmaceutically acceptable salt, solvate or prodrug thereof in preparation of drugs. The drugs are used for treating neuro-degenerative diseases.

Preparation method of 5- flucytosine

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Paragraph 0029-0031; 0037-0039; 0045-0047; 0053-0055, (2019/12/25)

The invention belongs to the technical field of chemical synthesis of medicines and relates to a preparation method of 5-flucytosine. The preparation method comprises the following steps: utilizing ethyl formate and methyl chloroformate to synthesize 2-chloro-3-oxo methyl propionate, then utilizing oxymethylisourea to close rings to obtain pyrimidine rings, utilizing potassium fluoride to substitute chlorine on the pyrimidine rings, utilizing phosphorus oxytrichloride to substitute hydroxyl groups on the pyrimidine rings, then adding ammonia water to lead chloride to be substituted with aminogroups, and hydrolyzing under an acid condition to obtain a product, namely the 5-flucytosine. The preparation method has the beneficial effects that the methyl chloroacetate is adopted for substituting methyl fluoroacetate to be used as a synthetic raw material of the 5-flucytosine, so that the use of highly-toxic chemicals such as the methyl fluoroacetate is avoided; simultaneously, since the price of the methyl chloroacetate is much lower than the price of the methyl fluoroacetate, the production cost can be saved; by utilization of the synthetic route provided by the invention, the higher-purity 5-flucytosine can be prepared without need of complex aftertreatment steps; simultaneously, the preparation method has higher overall yield and obvious industrial value and is worthy of being promoted and used on a large scale.

A Single Enzyme Transforms a Carboxylic Acid into a Nitrile through an Amide Intermediate

Nelp, Micah T.,Bandarian, Vahe

supporting information, p. 10627 - 10629 (2015/09/02)

The biosynthesis of nitriles is known to occur through specialized pathways involving multiple enzymes; however, in bacterial and archeal biosynthesis of 7-deazapurines, a single enzyme, ToyM, catalyzes the conversion of the carboxylic acid containing 7-carboxy-7-deazaguanine (CDG) into its corresponding nitrile, 7-cyano-7-deazaguanine (preQ0). The mechanism of this unusual direct transformation was shown to proceed via the adenylation of CDG, which activates it to form the newly discovered amide intermediate 7-amido-7-deazaguanine (ADG). This is subsequently dehydrated to form the nitrile in a process that consumes a second equivalent of ATP. The authentic amide intermediate is shown to be chemically and kinetically competent. The ability of ToyM to activate two different substrates, an acid and an amide, accounts for this unprecedented one-enzyme catalysis of nitrile synthesis, and the differential rates of these two half reactions suggest that this catalytic ability is derived from an amide synthetase that gained a new function. Double duty: In bacterial and archeal biosynthesis of 7-deazpurines, a single enzyme, ToyM, catalyzes the two-step conversion of the carboxylic acid 7- carboxy-7-deazaguanine (CDG) into the corresponding nitrile, 7-cyano-7-deazaguanine (preQ0). The mechanism of this unusual direct transformation proceeds via the adenylation of CDG. This activates it to form the amide intermediate 7-amido-7-deazaguanine (ADG), which is in turn activated to form the nitrile.

Inhibitors of histone deacetylase

-

, (2008/06/13)

Disclosed are compounds which inhibit histone deacetylase (HDAC) enzymatic activity. Also disclosed are pharmaceutical compositions comprising such compounds as well as methods to treat conditions, particularly proliferative conditions, mediated at least

Inhibitors of histone deacetylase

-

Page/Page column 46, (2010/02/14)

Disclosed are compounds which inhibit histone deacetylase (HDAC) enzymatic activity. Also disclosed are pharmaceutical compositions comprising such compounds as well as methods to treat conditions, particularly proliferative conditions, mediated at least in part by HDAC.

BROADSPECTRUM SUBSTITUTED BENZISOXAZOLE SULFONAMIDE HIV PROTEASE INHIBITORS

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Page/Page column 26, (2008/06/13)

The present invention concerns the compounds having the formula N-oxides, salts, stereoisomeric forms, racemic mixtures, prodrugs esters and metabolites thereof.It further relates to their use as broadspectrum HIV protease inhibitors, processes for their preparation as well as pharmaceutical compositions and diagnostic kits comprising them. It also concerns combinations thereof with another anti-retroviral agent, and to their use in assays as reference compounds or as reagents.

Synthesis, antifolate, and antitumor activities of classical and nonclassical 2-amino-4-oxo-5-substituted-pyrrolo[2,3-d]pyrimidines

Gangjee,Vidwans,Elzein,McGuire,Queener,Kisliuk

, p. 1993 - 2003 (2007/10/03)

Classical and nonclassical isosteric C8-N9 bridged analogues of the multitargeted antifolate LY231514 were synthesized as inhibitors of thymidylate synthase (TS), dihydrofolate reductase (DHFR), and as antitumor and antiopportunistic infection agents. The

The alkaline hydrolysis of aryl (2E)-3-(4′-hydroxyphenylazo)propenoates. A kinetic study

Cevasco,Vigo,Thea

, p. 7685 - 7690 (2007/10/03)

The alkaline hydrolysis of the title esters, possessing three conjugated π units between the internal nucleophile (the hydroxyl group) and the reaction center, follows an E1cB mechanism involving the participation of an "extra extended" p-oxo azoketene type intermediate. For the hydrolysis of the 2,4-dinitrophenyl ester kinetic data, activation parameters and trapping of the intermediate are consistent with a dissociative pathway carrying the reaction flux. The effect of the leaving group variation on reactivity agrees with the proposed mechanism, and the existence of an intermediate is also supported by diode array stopped-flow experiments. The presence of sp2 nitrogen atoms in the conjugated backbone is beneficial to the dissociative mechanism.

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