123342-93-8

Basic information

• Product Name: 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid
• Synonyms: 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid;Pyrithiobac;Pyrithiobac [iso]
• CAS NO: 123342-93-8
• Molecular Formula: C₁₃H₁₁ClN₂O₄S
• Molecular Weight: 326.76
• Mol File: 123342-93-8.mol
• Article Data: 5

Chemical Properties

• Melting Point: 148-151 ºC
• Boiling Point: 546.4 °C at 760 mmHg
• Flash Point: 284.3 °C
• Appearance: /
• Density: 1.51
• Vapor Pressure: 8.97E-13mmHg at 25°C
• Refractive Index: 1.651
• PKA: 1.91±0.36(Predicted)
• BRN: 10501383
• CAS DataBase Reference: 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid(123342-93-8)
• EPA Substance Registry System: 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid(123342-93-8)

Safety Data

• Hazard Codes: N
• Statements: 50/53
• Safety Statements: 60-61
• RIDADR: UN 3077 9 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 123342-93-8(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid is used as a chemical intermediate for the synthesis of more complex organic compounds. Its unique structure, including the benzoic acid and 2-pyrimidinyl groups, makes it a valuable building block in the creation of pharmaceuticals, agrochemicals, or other specialty chemicals.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid is used as a precursor in the development of new drugs. Its structural features may contribute to the formation of active pharmaceutical ingredients (APIs) with potential therapeutic applications, particularly in the areas of antiviral, antibacterial, or anti-inflammatory medications.
Used in Research and Development:
2-Chloro-6-[(4,6-dimethoxy-2-pyrimidinyl)thio]benzoic acid is utilized in research settings as a model compound for studying the properties and reactivity of similar organic molecules. Its synthesis and modification can provide insights into the design of new chemical entities with tailored properties for various applications.

InChI:InChI=1/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)

Upstream product

• 20324-51-0 2-chloro-6-mercapto-benzoic acid 
• 13223-25-1 2-chloro-4,6-dimethoxypyrimidine 
• 100960-33-6 2-amino-6-chlorobenzoic acid hydrochloride 
• 57235-35-5 4,6-dimethoxy-2-mercapto-pyrimidine 

Relevant articles and documents

Preparation method of herbicide pyrithiobac-sodium

The invention relates to a preparation method of herbicide pyrithiobac-sodium, and belongs to the field of plant protection. According to the preparation method, 2-chloro-4, 6-dimethoxypyrimidine is used as a raw material to directly react with 2-chloro-6-mercaptobenzoic acid under the action of a solvent, an inorganic alkali and an alkyl sodium sulfinate catalyst to prepare pyrithiobac-sodium; wherein the alkyl sodium sulfinate catalyst is one of sodium trifluoromethanesulfinate, sodium methanesulfinate, sodium benzenesulfinate and sodium p-toluenesulfinate; the solvent is one or more of methylbenzene, chlorobenzene, acetonitrile, N, N-dimethylformamide, N, N-dimethylacetamide, dimethyl sulfoxide, N-methyl pyrrolidone and 1, 4-dioxane, and the inorganic alkali is one of potassium carbonate, sodium carbonate and cesium carbonate. The preparation of pyrithiobac-sodium is realized by adopting a clean process technology, and the method has the characteristics of high reaction yield, simple process and the like.

Substituted pyridinesulfonamide compound or its salt, process for preparing the same, and herbicide containing the same

A substituted pyridinesulfonamide compound or its salt represented by the following general formula (I): STR1 wherein A is CH or N; when A is CH, R1 and R2 may be either each independently a member selected from the group consisting of unsubstituted or substituted alkyl groups, unsubstituted or substituted alkenyl groups, unsubstituted or substituted cycloalkyl groups, and unsubstituted or substituted phenyl groups; when A is N, R1 is an unsubstituted or substituted alkyl group, R2 is an unsubstituted or substituted alkyl group, or an unsubstituted or substituted alkoxy group; and X and Y are each independently a member selected from the group consisting of alkyl groups and alkoxy groups, is disclosed. This compound is useful as the effective ingredient of a herbicide showing a wide weed-control spectrum even if used in a small amount.

Substituted pyridinesulfonamide compounds or their salts, process for preparing the same, and herbicides containing the same

A substituted pyridinesulfonamide compound or its salt represented by the following general formula (I): wherein R1 is an unsubstituted or substituted alkyl group; R2 is an unsubstituted or substituted alkyl group, or an unsubstituted or substituted alkoxy group; and X and Y are each independently a member selected from the group consisting of alkyl groups and alkoxy groups, is disclosed. This compound is useful as the effective ingredient of a herbicide showing a wide weed-control spectrum even if used in a small amount.

Pyrimidine derivatives, processes for their production, and herbicidal method and compositions

A pyrimidine derivative having the formula: STR1 wherein X is a halogen atom, a lower alkyl group or a phenoxy group (wherein said phenoxy group may be substituted by halogen, lower alkyl or lower alkoxy), and R is a hydrogen atom, a lower alkyl group, an

Pyrimidine compounds, and herbicidal method and compositions

A pyrimidine compound having the formula: STR1 wherein X is a halogen atom, or a salt thereof.