121669-70-3

Basic information

• Product Name: tert-Butyl 4-iodopyrazole-1-carboxylate
• Synonyms: T-BUTYL 4-IODO-1H-PYRAZOLE-1-CARBOXYLATE;TERT-BUTYL 4-IODOPYRAZOLE-1-CARBOXYLATE;4-IODO-PYRAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1-BOC-4-IODOPYRAZOLE;tert-Butyl-4-iodo-1H-pyrazole-1-carboxylate;t-Butyl4-iodopyrazole-1-carboxylate;3-tert-butyl-4-iodo-1H-pyrazole-1-carboxylate;1-Boc-3-Methyl-4-iodo-1H-pyrazole 1H-Pyrazole-1-carboxylic acid, 4-iodo-, 1,1-dimethylethyl ester
• CAS NO: 121669-70-3
• Molecular Formula: C₈H₁₁IN₂O₂
• Molecular Weight: 294.09
• Product Categories: Building Blocks;C7 to C8;Chemical Synthesis;Halogenated Heterocycles;Heterocyclic Building Blocks;Pyrazoles
• Mol File: 121669-70-3.mol
• Article Data: 12

Chemical Properties

• Melting Point: 67-70°C
• Boiling Point: 311.991 °C at 760 mmHg
• Flash Point: 142.488 °C
• Appearance: /
• Density: 1.705 g/cm³
• Vapor Pressure: 0.000544mmHg at 25°C
• Refractive Index: 1.596
• Storage Temp.: 2-8°C(protect from light)
• PKA: -3.01±0.12(Predicted)
• CAS DataBase Reference: tert-Butyl 4-iodopyrazole-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-Butyl 4-iodopyrazole-1-carboxylate(121669-70-3)
• EPA Substance Registry System: tert-Butyl 4-iodopyrazole-1-carboxylate(121669-70-3)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 121669-70-3(Hazardous Substances Data)

Usage

General Description

Tert-butyl 4-iodopyrazole-1-carboxylate is an organic chemical compound with the molecular formula C10H14IN3O2. It is a pyrazole derivative that contains a tert-butyl group, an iodine atom, and a carboxylate functional group. tert-Butyl 4-iodopyrazole-1-carboxylate is commonly used in the synthesis of pharmaceuticals, agrochemicals, and materials. Its properties and structure make it a versatile building block for the preparation of various organic compounds. Tert-butyl 4-iodopyrazole-1-carboxylate is an important intermediate for the production of complex molecules and is utilized in the field of medicinal chemistry for drug discovery and development. Its unique structure and reactivity have made it a valuable tool in the chemical industry.

InChI:InChI=1/C8H11IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3

Upstream product

• 3469-69-0 4-iodopyrazole 
• 24424-99-5 di-tert-butyl dicarbonate 
• 121-44-8 triethylamine 

Downstream Products

• 914672-66-5 tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate 
• 269410-08-4 pyrazole-4-boronic acid pinacol ester 
• 1400286-93-2 tert-butyl 2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(2-chloro-4-methoxyphenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400286-95-4 tert-butyl 2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(2-ethoxyphenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400286-89-6 tert-butyl 2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(2-methoxyphenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400286-87-4 tert-butyl 2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(4-(2-morpholinoethoxy)phenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400286-85-2 tert-butyl 6-(4-((1H-pyrazol-1-yl)methyl)phenylamino)-2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400286-96-5 tert-butyl 2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(4-(N,N-dimethylsulfamoyl)phenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400286-92-1 tert-butyl-2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(3,4-dimethoxyphenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1316228-38-2 C₁₇H₁₉N₅O₂ 
• 1093193-29-3 4-ethynyl-1H-pyrazole-1-carboxylate tert-butyl ester 
• 552846-17-0 tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate 
• 1400286-84-1 tert-butyl 2-(1-(tert-butoxycarbonyl)-1H-pyrazol-4-yl)-6-(4-methoxyphenylamino)-1H-pyrrolo[3,2-c]pyridine-1-carboxylate 
• 1400287-04-8 tert-butyl 4-(6-(3,4-dimethoxyphenylamino)-1-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazole-1-carboxylate 

Relevant articles and documents

Flexible side arms of ditopic linker as effective tools to boost proton conductivity of Ni8-pyrazolate metal-organic framework

Two primitive metal-organic frameworks (MOFs), NiL1 and NiL2, based on Ni8O6-cluster and ditopic pyrazolate linkers, L1 (with rigid alkyne arms) and L2 (with flexible alkyne chains), were prepared. The proton conductivities of these MOFs in pristine form and imidazole-encapsulated forms, Im@NiL1 and Im@NiL2, were measured and compared. Upon introduction of imidazole molecules, the proton conductivity could be increased by 3 to 5 orders of magnitude and reached as high as 1.72 × 10?2 S/cm (at 98% RH and 80 °C). Also, whether imidazole molecules were introduced or not, Ni8O6-based MOFs with L2 in general gave better proton conductivity than those with L1 signifying that flexible side arms indeed assist proton conduction probably via establishment of efficient proton-conducting channels along with formation of highly ordered domains of water/imidazole molecules within the network cavities. Beyond the active Ni8O6-cluster, tuning flexibility of linker pendants serves as an alternative approach to regulate/modulate the proton conductivity of MOFs.

Alkynyl-rich compound, preparation method thereof and metal organic framework material

The invention relates to the technical field of organic synthesis, in particular to an alkynyl-rich compound, a preparation method thereof and a metal organic framework material. Disclosed is the lkynyl-rich compound. The structure of the compound is show

Synthesis method of pyrazol-4-boronic acid pinacol ester

The invention discloses a synthesis method of pyrazol-4-boronic acid pinacol ester. The method consists of: reacting 4-halogenopyrazole with BOC2O to obtain N-BOC-4-halogenopyrazole, then carrying out reaction with alkyl magnesium lithium, adding aminopinacol borate, conducting acid quenching deprotection, then carrying out rotary evaporation filtering to obtain a solid, and adding organic alkali to conduct dissociation so as to obtain a product. The synthesis method has the advantages of simple operation, good reproducibility and high product purity, and is suitable for large-scale production.