39806-90-1

Basic information

• Product Name: 4-Iodo-1-methyl-1H-pyrazole
• Synonyms: 1-METHYL-4-IODO-1H-PYRAZOLE;4-IODO-1-METHYL-1H-PYRAZOLE;1-Methyl-4-iodo-1H-pyrazole,97%;1H-pyrazole, 4-iodo-1-methyl-;1-Methyl-4-iodo-1H-pyrazole, 97% 1GR;1-Methyl-4-iodopyrazole;1-Methyl-4-iodo-pyrazole;4-iodo-N-Methylpyrazole
• CAS NO: 39806-90-1
• Molecular Formula: C₄H₅IN₂
• Molecular Weight: 208
• Product Categories: blocks;Iodides;Halides;Pyrazoles & Triazoles;CHIRAL CHEMICALS;Pyrazoles & Triazoles;Building Blocks;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrazoles;PyrazolesHeterocyclic Building Blocks
• Mol File: 39806-90-1.mol
• Article Data: 40

Chemical Properties

• Melting Point: 61-67 °C
• Boiling Point: 226.9 °C at 760 mmHg
• Flash Point: 91.1 °C
• Appearance: Off-white semi-transparent/Crystals or Crystalline Needles
• Density: 2.07 g/cm³
• Vapor Pressure: 0.12mmHg at 25°C
• Refractive Index: 1.681
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility: soluble in Methanol
• PKA: 0.35±0.10(Predicted)
• Water Solubility: Insoluble
• CAS DataBase Reference: 4-Iodo-1-methyl-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Iodo-1-methyl-1H-pyrazole(39806-90-1)
• EPA Substance Registry System: 4-Iodo-1-methyl-1H-pyrazole(39806-90-1)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38-41-37/38
• Safety Statements: 37/39-26-39
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 39806-90-1(Hazardous Substances Data)

Usage

Chemical Properties

off-white semi-transparent crystals or

Uses

suzuki reaction

InChI:InChI=1/C4H5IN2/c1-7-3-4(5)2-6-7/h2-3H,1H3

Upstream product

• 5952-92-1 1-methyl-1H-pyrazole-4-carboxylic acid 
• 3469-69-0 4-iodopyrazole 
• 74-87-3 methylene chloride 
• 1007521-93-8 N-methyl-4-iodopyrazole diacetate 
• 762-72-1 allyl-trimethyl-silane 
• 74-88-4 methyl iodide 
• 930-36-9 1-methyl-1H-pyrazole 
• 5952-93-2 methyl ester of 1-methylpyrazole-4-carboxylic acid 

Downstream Products

• 3994-50-1 1-methyl-4-nitropyrazole 
• 1079178-14-5 4-(2-methoxy-4-nitrophenyl)-1-methyl-1H-pyrazole 
• 951403-43-3 2-methyl-4-(3-trifluoromethylphenylethynyl)-2H-pyrazole 
• 942317-53-5 (E)-2-tert-butoxycarbonylamino-3-(1-methyl-1H-pyrazol-4-yl)acrylic acid benzyl ester 
• 918487-06-6 C₁₂H₉BrN₂ 
• 339530-01-7 2-(3-{3-[5-benzyloxy-2-ethyl-4-(1-methyl-1H-pyrazol-4-yl)phenoxy]-propoxy}-2-propylphenoxy)benzoic acid methyl ester 
• 288148-34-5 1-methyl-1H-pyrazole-4-sulfonyl chloride 
• 10199-69-6 1-methyl-4-phenyl-1H-pyrazole 
• 123532-18-3 3-(2-hydroxyphenyl)-1-methyl-1H-pyrazole 
• 6647-96-7 4-iodo-1,5-dimethyl-1H-pyrazole 
• 16291-40-0 1-phenyltriphenylene 

Relevant articles and documents

Regioselective Synthesis of C3-Hydroxyarylated Pyrazoles

Pyrazoles are ubiquitous structures in medicinal chemistry. We report the first regioselective route to C3-hydroxyarylated pyrazoles obtained through reaction of pyrazole N-oxides with arynes using mild conditions. Importantly, this method does not requir

Method for synthesizing 1 - methyl -4 -iodo pyrazole (by machine translation)

The invention relates to the technical field 1 - methyl -4 - iodinol synthesis, in particular to a synthesis method of 1 - methyl -4 - iodo pyrazole. The synthesis method of 1 - methyl -4 - iodinol comprises the following steps: (1) mixing 1 - methylpyrazole with iodine, heating to 40 - 80 °C, dropwise adding an oxidizing agent aqueous solution to carry out iodination reaction, and (2) adding alkali liquor to 5 - 9 DEG C to obtain a light yellow crystal, namely 1 - methyl -4 - iodo pyrazole. To 1 - methyl -4 - iodinol synthesis method, 1 - methylpyrazole raw materials are used as the iodinating agent, and an oxidizing agent, an oxidizing agent and hydrogen iodide are added to generate iodine, so that iodine is fully utilized, the reaction rate and product yield are improved, and the synthesis cost 1 - methyl -4 -iodo pyrazole is greatly reduced. (by machine translation)

Disulfide-Catalyzed Iodination of Electron-Rich Aromatic Compounds

Herein, a disulfide-catalyzed electrophilic iodination of aromatic compounds using 1,3-diiodo-5,5-dimethylhydantoin (DIH) has been developed. The disulfide activates DIH as a Lewis base to promote the iodination reaction in acetonitrile under mild conditions. This system is applicable to a wide range of electron-rich aromatic compounds, including acetanilide, anisole, imidazole, and pyrazole derivatives.