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2-Chloro-2-methylpropionic acid, also known as α-chloroisocaproic acid, is an organic compound with the chemical formula C5H9ClO2. It is a colorless to pale yellow liquid with a slightly pungent odor. 2-chloro-2-methylpropionic acid is characterized by its chlorinated branched-chain carboxylic acid structure, which provides it with unique chemical properties and reactivity.

594-58-1

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594-58-1 Usage

Uses

Used in the Chemical Industry:
2-Chloro-2-methylpropionic acid is used as a key intermediate in the synthesis of various organic compounds, particularly in the preparation of substituted Thiophenyluracils and Salts. These synthesized compounds are employed as herbicidal agents, which are crucial in the agricultural industry for controlling the growth of unwanted plants and ensuring the healthy growth of crops.
Used in the Agricultural Industry:
As a component in the production of herbicides, 2-chloro-2-methylpropionic acid plays a vital role in the agricultural industry. The herbicidal agents derived from 2-chloro-2-methylpropionic acid are used to control a wide range of weeds, thereby increasing crop yield and quality. These herbicides are effective against both broadleaf and grassy weeds, making them versatile tools in modern agriculture.

Check Digit Verification of cas no

The CAS Registry Mumber 594-58-1 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,9 and 4 respectively; the second part has 2 digits, 5 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 594-58:
(5*5)+(4*9)+(3*4)+(2*5)+(1*8)=91
91 % 10 = 1
So 594-58-1 is a valid CAS Registry Number.
InChI:InChI=1/C4H7ClO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)

594-58-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-chloro-2-methylpropanoic acid

1.2 Other means of identification

Product number -
Other names L-2-chloropropinonical

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:594-58-1 SDS

594-58-1Relevant academic research and scientific papers

Synthesis of Galactosyl-Queuosine and Distribution of Hypermodified Q-Nucleosides in Mouse Tissues

Carell, Thomas,Ensfelder, Timm T.,Heiss, Matthias,Hillmeier, Markus,Kellner, Stefanie,Müller, Markus,Michalakis, Stylianos,Sch?n, Alexander,Scheel, Constanze,Thumbs, Peter,Wagner, Mirko

supporting information, p. 12352 - 12356 (2020/04/27)

Queuosine (Q) is a hypermodified RNA nucleoside that is found in tRNAHis, tRNAAsn, tRNATyr, and tRNAAsp. It is located at the wobble position of the tRNA anticodon loop, where it can interact with U as well as C bases located at the respective position of the corresponding mRNA codons. In tRNATyr and tRNAAsp of higher eukaryotes, including humans, the Q base is for yet unknown reasons further modified by the addition of a galactose and a mannose sugar, respectively. The reason for this additional modification, and how the sugar modification is orchestrated with Q formation and insertion, is unknown. Here, we report a total synthesis of the hypermodified nucleoside galactosyl-queuosine (galQ). The availability of the compound enabled us to study the absolute levels of the Q-family nucleosides in six different organs of newborn and adult mice, and also in human cytosolic tRNA. Our synthesis now paves the way to a more detailed analysis of the biological function of the Q-nucleoside family.

Reaction of Lithium Acylate α-Carbanions with Carbon Tetrachloride

Zorin,Zaynashev,Zorin

, p. 42 - 46 (2019/04/27)

Metalation of acetic, butanoic, or 2-methylpropanoic acid with lithium diisopropylamide in tetrahydrofuran under argon gave the corresponding lithium acylate α-carbanions which reacted with carbon tetrachloride at 20–25°C for 2 h to afford butanedioic acid or its 2,3-diethyl and 2,2,3,3-tetramethyl derivatives, as well as the corresponding α-chlorocarboxylic acids and chloroform. A radical mechanism was proposed for the formation of dicarboxylic and α-chlorocarboxylic acids.

Reactions of α-carbanions of lithium acylates with N,N-diethyl-N-chloro- and N,N-diethyl-N-bromoamines

Zorin,Zainashev,Zorin

, p. 2469 - 2472 (2016/12/24)

The interaction of α-carbanions of lithium acylates (prepared via metalation of acetic, butyric, or isobutyric acid with lithium diisopropylamide in tetrahydrofuran under argon atmosphere) with N,N-diethyl-N-chloro- or N,N-diethyl-N-bromoamine has resulte

METHOD FOR PRODUCING UNSATURATED ACID AND/OR UNSATURATED ACID ESTER

-

Paragraph 0073-0074, (2015/07/02)

The present invention relates to a method for producing an unsaturated acid and/or an unsaturated acid ester, containing a process A of reacting a compound (1) represented by the following formula (1) at a temperature of 0° C. to 350° C. in the presence of a Br?nsted acid catalyst and/or a Lewis acid catalyst, to prepare a compound (2) represented by the following formula (2); in which each of R1, R2 and R4 independently represents a hydrogen atom, a deuterium atom or an alkyl group; each of R3 and R5 independently represents a hydrogen atom or a deuterium atom; R6 represents a hydrogen atom, a deuterium atom, or an alkyl group or an aryl group; and X represents a chlorine atom, a fluorine atom, a bromine atom, or an iodine atom.

Biotin functionalized poly(sulfonic acid)s for bioconjugation: In situ binding monitoring by QCM-D

Slavin, Stacy,De Cuendias, Anne,Ladmiral,Haddleton, David M.

scheme or table, p. 1163 - 1173 (2012/02/05)

We describe the synthesis of biotin end functionalized poly(sulfonic acid)s via living radical polymerization (LRP) for conjugation to Avidin. Quartz crystal microbalance (QCM-D) and competitive binding studies were used to confirm this conjugation. A biotin initiator for copper-mediated LRP was used to provide acrylamide and methacrylate based polymers with the functional end group. This investigation revealed that 2-acrylamido-2-methyl-1-propanesulfonic acid was not a suitable monomer in its acid form but was successfully used in its sodium salt form. A second monomer, 3-sulfopropylmethacrylate as the potassium salt was also studied and both monomers produced polymers with polydispersities 1.3 and 1.4, respectively. Evolution of molecular weight with respect to time indicated that the polymerization of the acrylamide polymer is controlled. Quartz crystal microbalance with dissipation monitoring was used to confirm that the biotinylated polymers were able to bind to Avidin in situ. The gold surface of a quartz crystal was chemically modified resulting in a stable monolayer of Avidin; the biotinylated polymers were passed over the functionalized surface and their grafting ability was examined. A competitive binding evaluation was undertaken with 2-(4-hydroxyphenylazo)benzoic acid (HABA) dye to provide visual verification of conjugation.

Oxidation of benzylic alcohols and ethers to carbonyl derivatives by nitric acid in dichloromethane

Strazzolini, Paolo,Runcio, Antonio

, p. 526 - 536 (2007/10/03)

Nitric acid in dichloromethane may be successfully employed for the oxidation of benzylic alcohols and ethers to the corresponding carbonyl compounds. The proposed method proved to be of general applicability, affording very good yields of aldehydes and ketones and showing interesting chemoselectivity in many instances, allowing competitive aromatic nitration to be avoided, as well as - in the case of aldehydes - any further oxidation to carboxylic acids. The reaction probably proceeds by a radical mechanism, the active species in the oxidation process being NO2. Competitive formation of nitro esters was observed in some cases, whereas poor results were obtained with allylic and non-benzylic substrates. Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003.

LINK synthesis with 3-hydroxy-1H-pyrazoles: 3-carboxyisoalkyloxy-1H-pyrazoles-bicyclic acylpyrazolium salts and γ-lactams-3-carboxyisoalkyloxy-4,5-dihydro-1H-pyrazol-5-ones

Dorn, Helmut,Ozegowski, Ruediger

, p. 437 - 449 (2007/10/03)

1-Substituted 3-hydroxy-1H-pyrazoles 1 react with chloroform, NaOH, and aceton resp. butan-2-one O-regiospecifically to yield 2-methyl-2-[(1H-pyrazol-3-yl)oxy]-propanoic resp. -butanoic acids 14 via a dichlorocarbene (12)-dichlorooxirane (9) pathway. Chlorides 17 of 14 easily cyclize to N-acylpyrazolium salts 18/19, which quantitatively afford esters 22-26 and amides 27-29 of 14. Enantiomers of the butanoic acid 14h, obtained via their diastereomeric cholesterol esters, differ in their stimulus to peroxisome proliferation. At 140°C pyrazolium salts 18 undergo thermolysis to bicyclic β-oxa-γ-lactams 30-32. 3-Carboxyisoalkylamino-pyrazoles similarly give 1H-β-aza-γ-lactams 34. Reactions of 14 with surplus SOCl2 result in 6-chloro-37 resp. 7-chloro-β-oxa-γ-lactams 38 via chlorosulfinylation and extrusion of SO, and in 4,4-bispyrazolyl-sulfoxide 39. A mild introduction of additional O-functions into pyrazoles affording 4,5-dihydro-3-hydroxy-5-oxo-1H-pyrazoles 52-57 is presented. Biological effects of the new pyrazoles are protection against shock and ADP-induced thromboembolism, reduction of serum lipids and improvement of blood flow. Johann Ambrosius Barth 1998.

Preparation of optically active α-(hydroxyphenoxy)alkanecarboxylic acids and derivatives thereof

-

, (2008/06/13)

Optically active α-(hydroxyphenoxy)-alkanecarboxylic acids or derivatives thereof, for example D-2-(4-hydroxyphenoxy)propionic acid or lower alkyl ester thereof, are prepared by (a) saponifying an alkyl ester of an optically active α-halogeno-alkanecarboxylic acid, in an alcoholic solvent medium, by reacting same with an aqueous solution of an alkali metal hydroxide, thereby providing a solution of an alkali metal salt of an optically active α-halogeno-alkanecarboxylic acid, (b) next reacting the step (a) solution thus provided with a dihydroxybenzene or salt thereof, in the presence of an alkali metal hydroxide and in an alcoholic solvent medium, and thence (c) recovering the optically active α-(hydroxyphenoxy)-alkanecarboxylic acid or derivative thereof from the medium of reaction.

Pyridylthio-acylanilide herbicides

-

, (2008/06/13)

Novel herbicidally active pyridylthio-acylanilides of the formula STR1 in which R1, R2 and R3, independently of one another, represent hydrogen, halogen, cyano or trifluoromethyl or alkyl, alkoxy and alkylthio having 1 to 4 carbon atoms in each case, R4 represents halogen, methyl or methoxy, n represents a number 0, 1 or 2, z represents the group (Ia) STR2 or the group (Ib) STR3 where X represents oxygen, sulphur, an N--R10 or N--O--R11 group, or X and Rg tpgether represent the STR4 radical, and the other radicals can have various meanings. Intermediates of the formulae STR5 are also new.

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