Cas no 91940-84-0 (2-tert-butylpyridine-4-carboxylic acid)

2-tert-butylpyridine-4-carboxylic acid structure
91940-84-0 structure
Product Name:2-tert-butylpyridine-4-carboxylic acid
CAS No:91940-84-0
MF:C10H13NO2
MW:179.215722799301
MDL:MFCD04113815
CID:855195
PubChem ID:693292
Update Time:2024-10-26

2-tert-butylpyridine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(tert-Butyl)isonicotinic acid
    • 2-tert-Butylisonicotinic acid
    • 2-TERT-BUTYL-ISONICOTINIC ACID
    • 2-tert-butylpyridine-4-carboxylic Acid
    • 4-Pyridinecarboxylic acid, 2-(1,1-dimethylethyl)-
    • 2-(tert-butyl)pyridine-4-carboxylic acid
    • 2-tert-butyliso-nicotinic acid
    • ZVXZKPSVWZIJNW-UHFFFAOYSA-N
    • SBB042151
    • STL253426
    • AB17856
    • Z2609
    • ST45175002
    • 2-(1,1-Dimethylethyl)-4-pyridinecarboxylic acid (ACI)
    • SY069162
    • Z1198164134
    • SCHEMBL1759647
    • 91940-84-0
    • DTXSID80351209
    • AKOS000270417
    • DB-093878
    • CS-W000642
    • EN300-3048473
    • 2-(tert-Butyl)isonicotinicacid
    • DS-17027
    • MFCD04113815
    • 2-tert-butylpyridine-4-carboxylic acid
    • MDL: MFCD04113815
    • Inchi: 1S/C10H13NO2/c1-10(2,3)8-6-7(9(12)13)4-5-11-8/h4-6H,1-3H3,(H,12,13)
    • InChI Key: ZVXZKPSVWZIJNW-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(C(C)(C)C)N=CC=1)O

Computed Properties

  • Exact Mass: 179.094628657g/mol
  • Monoisotopic Mass: 179.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 196
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 50.2
  • XLogP3: 2.1

Experimental Properties

  • Color/Form: Not available
  • Density: 1.107±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: Not available
  • Boiling Point: Not available
  • Flash Point: Not available
  • Solubility: Slightly soluble (3.9 g/l) (25 o C),
  • Vapor Pressure: Not available

2-tert-butylpyridine-4-carboxylic acid Security Information

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2-tert-butylpyridine-4-carboxylic acid Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Ethanol
Reference
Synthesis of some anilides of 2-alkyl-4-pyridinecarboxylic acids and their photosynthesis-inhibiting activity
Miletin, Miroslav; Hartl, Jiri; Machacek, Milos, Collection of Czechoslovak Chemical Communications, 1997, 62(4), 672-678

2-tert-butylpyridine-4-carboxylic acid Raw materials

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2-tert-butylpyridine-4-carboxylic acid Related Literature

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