ChemicalBook--->CAS DataBase List--->409127-32-8

409127-32-8

409127-32-8 Structure

409127-32-8 Structure
IdentificationBack Directory
[Name]

Methyl 2,6-dichloro-4-cyanobenzoate
[CAS]

409127-32-8
[Synonyms]

2,6-dichloro-4-cyanobenzoic acid
Methyl 2,6-difluoro-4-Cyanobenzoate
Methyl 2,6-dichloro-4-cyanobenzoate
Benzoic acid, 2,6-dichloro-4-cyano-, methyl ester
[Molecular Formula]

C9H5Cl2NO2
[MDL Number]

MFCD13194678
[MOL File]

409127-32-8.mol
[Molecular Weight]

230.05
Chemical PropertiesBack Directory
[Boiling point ]

319.6±42.0 °C(Predicted)
[density ]

1.45
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

White to off-white Solid
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2,6-dichloro-4-cyanobenzoate(409127-32-8)1HNMR
Hazard InformationBack Directory
[Synthesis]

methyl 4-carbamoyl-2,6-dichlorobenzoate

409127-31-7

Methyl 2,6-dichloro-4-cyanobenzoate

409127-32-8

Step a: Synthesis of methyl 2,6-dichloro-4-cyanobenzoate Methyl 4-carbamoyl-2,6-dichlorobenzoate (100 mg, 0.4 mmol) was dissolved in pyridine (2 mL) and trifluoroacetic anhydride (0.11 mL, 0.8 mmol) was added slowly and dropwise at 0 °C. The reaction mixture was gradually warmed to room temperature and stirred continuously for 1 hour. Upon completion of the reaction, the mixture was poured into pre-cooled ice water, the precipitated solid was filtered, washed thoroughly with cold water and dried to afford methyl 2,6-dichloro-4-cyanobenzoate (55 mg, 88% yield) as an off-white solid.

[References]

[1] Patent: WO2012/160464, 2012, A1. Location in patent: Page/Page column 77-78
[2] Patent: US2014/155398, 2014, A1. Location in patent: Paragraph 0468
[3] Patent: US2010/317643, 2010, A1. Location in patent: Page/Page column 101
[4] Journal of Medicinal Chemistry, 2013, vol. 56, # 11, p. 4521 - 4536
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