Cas no 947179-03-5 (Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate)

Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate structure
947179-03-5 structure
Product Name:Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate
CAS No:947179-03-5
MF:C9H10BrNO2
MW:244.085201740265
CID:1984523
PubChem ID:25208981
Update Time:2024-10-25

Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate
    • 2-Pyridinecarboxylic acid, 4-bromo-6-methyl-, 1-oxide
    • 4-bromo-6-methylpicolinic acid N-oxide
    • 4-Bromo-6-methyl-pyridine-2-carboxylic acid ethyl ester
    • 4-Brom-6-methyl-picolinsaeure-N-oxid
    • 4-Brom-6-methyl-pyridin-carbonsaeure-(2)-N-oxid
    • ethyl 4-bromo-6-methylpicolinate
    • CTK0G1397
    • 4-bromo-6-methyl-picolinic acid N-oxide
    • 4-Brom-6-methyl-picolinsaeure-N-oxyd
    • 4-bromo-6-methylpyridine-2-carboxylic acid ethyl ester
    • 4-bromo-6-methyl-1-oxy-pyridine-2-carboxylic acid
    • 2-Pyridinecarboxylic acid, 4-broMo-6-Methyl-, ethyl ester
    • Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate (ACI)
    • SCHEMBL1425164
    • AAPPRTUAEBBJOZ-UHFFFAOYSA-N
    • AKOS037649296
    • CS-0157934
    • MFCD20485650
    • 947179-03-5
    • D80221
    • ethyl 4-bromo-6-methylpyridine-2-carboxylate
    • DB-340171
    • BS-17915
    • Inchi: 1S/C9H10BrNO2/c1-3-13-9(12)8-5-7(10)4-6(2)11-8/h4-5H,3H2,1-2H3
    • InChI Key: AAPPRTUAEBBJOZ-UHFFFAOYSA-N
    • SMILES: O=C(C1C=C(Br)C=C(C)N=1)OCC

Computed Properties

  • Exact Mass: 242.98949g/mol
  • Monoisotopic Mass: 242.98949g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 187
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 39.2?2

Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate Pricemore >>

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Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate Production Method

Production Method 1

Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Ethanol ;  rt; rt → 70 °C; 4 h, 70 °C
Reference
Novel S1P1 Receptor Agonists - Part 3: From Thiophenes to Pyridines
Bolli, Martin H.; Abele, Stefan; Birker, Magdalena; Bravo, Roberto; Bur, Daniel; et al, Journal of Medicinal Chemistry, 2014, 57(1), 110-130

Production Method 2

Reaction Conditions
1.1 Catalysts: Sulfuric acid Solvents: Ethanol ,  Water ;  rt; 16 h, rt → 70 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
Preparation of phenyloxadiazolyl pyridines as immunomodulating agents
, World Intellectual Property Organization, , ,

Production Method 3

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Ethanol ,  Water ;  16 h, rt → 70 °C
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
Preparation of dipyridinyl derivatives as therapeutic S1P1/EDG1 receptor modulators
, World Intellectual Property Organization, , ,

Production Method 4

Reaction Conditions
1.1 Reagents: Sulfuric acid Solvents: Water ;  8 h, reflux
1.2 Reagents: Sodium carbonate Solvents: Water ;  pH 7
Reference
Pyridine-2-carboxamide derivatives as metabotropic glutamate receptor antagonists and their preparation, pharmaceutical compositions and use in the treatment of diseases
, World Intellectual Property Organization, , ,

Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate Raw materials

Ethyl 4-bromo-6-methyl-2-pyridinecarboxylate Preparation Products

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