Cas no 97483-79-9 (Ethyl 6-cyanopicolinate)

Ethyl 6-cyanopicolinate structure
Ethyl 6-cyanopicolinate structure
Product Name:Ethyl 6-cyanopicolinate
CAS No:97483-79-9
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD09261080
CID:801144
PubChem ID:13415158
Update Time:2024-10-25

Ethyl 6-cyanopicolinate Chemical and Physical Properties

Names and Identifiers

    • 6-cyano-2-Pyridinecarboxylic acid ethyl ester
    • Ethyl 6-cyanopicolinate
    • 2-Pyridinecarboxylicacid, 6-cyano-, ethyl ester
    • 6-CYANO-PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER
    • ethyl 6-cyanopyridine-2-carboxylate
    • 2-ACETONITRILPYRIDINE-6-CARBOXYLIC ACID EHTYL ESTER
    • Ethyl 6-cyano-2-pyridinecarboxylate
    • 2-Pyridinecarboxylic acid, 6-cyano-, ethyl ester
    • FYOOHRDXEPERKP-UHFFFAOYSA-N
    • ST2413058
    • AB0027919
    • W9825
    • 2-Acetonitrilpyridine-6-carboxylic acid ethyl ester
    • Ethyl 6-cyano-2-pyridinecarboxylate (ACI)
    • S11644
    • MFCD09261080
    • DTXSID20540099
    • AKOS006332375
    • DS-17276
    • CS-0043720
    • SY102428
    • 97483-79-9
    • SCHEMBL2962800
    • Ethyl6-cyanopicolinate
    • MDL: MFCD09261080
    • Inchi: 1S/C9H8N2O2/c1-2-13-9(12)8-5-3-4-7(6-10)11-8/h3-5H,2H2,1H3
    • InChI Key: FYOOHRDXEPERKP-UHFFFAOYSA-N
    • SMILES: N#CC1C=CC=C(C(OCC)=O)N=1

Computed Properties

  • Exact Mass: 176.05900
  • Monoisotopic Mass: 176.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 231
  • 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: 63
  • XLogP3: 1.5

Experimental Properties

  • Boiling Point: 330.0±27.0°C at 760 mmHg
  • PSA: 62.98000
  • LogP: 1.12998

Ethyl 6-cyanopicolinate Security Information

  • Hazard Statement: H302
  • Storage Condition:Sealed in dry,Room Temperature

Ethyl 6-cyanopicolinate Pricemore >>

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Ethyl 6-cyanopicolinate Production Method

Production Method 1

Reaction Conditions
1.1 Solvents: Pyridine ;  rt; rt → reflux; 16 h, reflux
Reference
Increasing the Efficiency of Ligands for FK506-Binding Protein 51 by Conformational Control
Wang, Yansong; Kirschner, Alexander; Fabian, Anne-Katrin; Gopalakrishnan, Ranganath; Kress, Christoph; et al, Journal of Medicinal Chemistry, 2013, 56(10), 3922-3935

Production Method 2

Reaction Conditions
Reference
Bicyclic aza-amides for treatment of psychiatric disorders
, United States, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Pyridine ;  6 h, reflux
Reference
Preparation of substituted phenylthiazole compounds as zinc-selective fluorescent probes for emission-ratiometric imaging
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Solvents: Pyridine ;  16 h, reflux
Reference
Preparation of bicyclic aza-amides for treatment of psychiatric disorders
, World Intellectual Property Organization, , ,

Production Method 5

Reaction Conditions
1.1 Reagents: Triethylamine ,  Trimethylsilyl cyanide Solvents: Acetonitrile
Reference
Site-selectivity in the cyanation of 3-substituted pyridine 1-oxides with trimethylsilanecarbonitrile
Sakamoto, Takao; Kaneda, Sohichi; Nishimura, Sumiko; Yamanaka, Hiroshi, Chemical & Pharmaceutical Bulletin, 1985, 33(2), 565-71

Production Method 6

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Solvents: Water
1.2 Reagents: Sulfuric acid ,  Ferrous sulfate Solvents: Dichloromethane ,  Water
Reference
Homolytic alkoxycarbonylation reactions in two-phase systems. 3. Introduction of a single carboxylic acid ester function into cyano- or (alkoxycarbonyl)-substituted N-heteroaromatics
Heinisch, Gottfried; Loetsch, Gerhard, Heterocycles, 1987, 26(3), 731-44

Ethyl 6-cyanopicolinate Raw materials

Ethyl 6-cyanopicolinate Preparation Products

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