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Isopropyl 2-nitrobenzoate is an organic compound with the chemical formula C10H9NO4. It is a derivative of 2-nitrobenzoic acid, where the hydrogen atom of the carboxylic acid group is replaced by an isopropyl group (-CH(CH3)2). This ester is characterized by its yellowish color and has a melting point of 44-46°C. Isopropyl 2-nitrobenzoate is soluble in organic solvents and is used in various applications, including as a chemical intermediate in the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals. Its nitro group can be reduced to an amine, making it a versatile building block for the creation of different chemical compounds.

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  • 947-80-8 Structure
  • Basic information

    1. Product Name: isopropyl 2-nitrobenzoate
    2. Synonyms: isopropyl 2-nitrobenzoate
    3. CAS NO:947-80-8
    4. Molecular Formula:
    5. Molecular Weight: 209.202
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 947-80-8.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: isopropyl 2-nitrobenzoate(CAS DataBase Reference)
    10. NIST Chemistry Reference: isopropyl 2-nitrobenzoate(947-80-8)
    11. EPA Substance Registry System: isopropyl 2-nitrobenzoate(947-80-8)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 947-80-8(Hazardous Substances Data)

947-80-8 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 947-80-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,4 and 7 respectively; the second part has 2 digits, 8 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 947-80:
(5*9)+(4*4)+(3*7)+(2*8)+(1*0)=98
98 % 10 = 8
So 947-80-8 is a valid CAS Registry Number.

947-80-8Relevant articles and documents

Efficient synthesis of esters through oxone-catalyzed dehydrogenation of carboxylic acids and alcohols

Hou, Fei,Wang, Xi-Cun,Quan, Zheng-Jun

, p. 9472 - 9476 (2018)

Since esters are important organic synthesis intermediates, an environmentally friendly oxone catalyzed-esterification of carboxylic acids with alcohols has been developed. A series of carboxylic acid esters are obtained in high yield. This strategy requires mild reaction conditions, providing an attractive alternative for the construction of valuable carbonyl esters. Electron-rich and electron-deficient groups are compatible with the standard conditions and a variety of substrates are demonstrated. Moreover, the reaction could easily be adapted to typical prodrugs, drugs and gram-scale synthesis.

A synthesis of sulfonamide analogs of platensimycin employing a palladium-mediated carbonylation strategy

McNulty, James,Nair, Jerald J.,Capretta, Alfredo

scheme or table, p. 4087 - 4091 (2009/12/01)

The monodentate ligand 1,3,5,7-tetramethyl-2,4,8-trioxa-6-phenyl-6-phospha-adamantane (PA-Ph) is shown to be highly effective in palladium-catalyzed carbonylative cross-coupling. Aryl and vinyl halides were efficiently converted to carboxylic acids, amides and to primary, secondary, and tertiary esters, respectively. Application of the Pd(OAc)2/PA-Ph (1:1) catalyst system proved critical in the methoxycarbonylation of a functionalized nitroresorcinol halide, allowing convenient access to novel platensimycin sulfonamide analogs.

Efficient palladium-catalysed carbonylative and Suzuki-Miyaura cross-coupling reactions with bis(di-tert-butylphosphino)-o-xylene

McNulty, James,Nair, Jerald J.,Sliwinski, Marcin,Robertson, Al J.

scheme or table, p. 2342 - 2346 (2009/08/17)

The use of the ligand bis(di-tert-butylphosphino)-o-xylene (dtbpx) in palladium-catalysed carbonylative and Suzuki-Miyaura cross-coupling reactions is described. Aryl and vinyl halides readily entered into the carbonylative catalytic cycle affording carboxylic acids, amides as well as primary, secondary and tertiary esters, respectively, in good yields. Aryl iodides, bromides and chlorides gave high yields of biphenyl products upon reaction with both activated and unactivated boronic acids.

Efficient carbonylation reactions in phosphonium salt ionic liquids: Anionic effects

McNulty, James,Nair, Jerald J.,Robertson, Al

, p. 4575 - 4578 (2008/03/12)

(Formula Presented) Application of phosphonium salt ionic liquids in the carbonylation of aryl and vinyl halides is presented. Anionic effects were uncovered with the bromide ionic liquid emerging as the superior media. Acid bromide intermediates were detected in control experiments providing an extended view on the overall catalytic cycle involved. Solvent-free product isolation and recycling of the ionic liquid containing active Pd-catalyst are also demonstrated.

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