ChemicalBook--->CAS DataBase List--->126674-77-9

126674-77-9

126674-77-9 Structure

126674-77-9 Structure
IdentificationBack Directory
[Name]

2-AMINO-4,6-DIFLUOROBENZOIC ACID
[CAS]

126674-77-9
[Synonyms]

BUTTPARK 49\07-42
2-AMINO-4,6-DIFLUOROBENZOIC ACID
Benzoic acid, 2-aMino-4,6-difluoro-
2-AMino-4,6-difluorobenzoic acid 97%
2-Amino-4,6-difluorobenzoic acid ,97%
2-AMino-4,6-difluorobenzoic acid, 6-difluorobenzoic acid
2-Carboxy-3,5-difluoroaniline, 4,6-Difluoroanthranilic acid
[Molecular Formula]

C7H5F2NO2
[MDL Number]

MFCD03618449
[MOL File]

126674-77-9.mol
[Molecular Weight]

173.12
Chemical PropertiesBack Directory
[Boiling point ]

305.8±42.0 °C(Predicted)
[density ]

1.536
[storage temp. ]

RT, protect from light
[form ]

wooly crystalline powder
[pka]

3.95±0.10(Predicted)
[color ]

Light yellow/gold
[Sensitive ]

Air Sensitive
Questions And AnswerBack Directory
[Uses]

2-Amino-4,6-difluorobenzoic acid is an important pharmaceutical and pesticide intermediate, and it can also be used in liquid crystal materials. It has the advantages of high value and good market prospects.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[Hazard Codes ]

Xi
[HS Code ]

2916310000
Raw materials And Preparation ProductsBack Directory
[Raw materials]

(E)-N-(3,5-difluorophenyl)-2-(hydroxyimino)acetamide-->4,6-Difluoroindoline-2,3-dione-->Formic acid
[Preparation Products]

Benzoic acid, 2-amino-4,6-difluoro-, methyl ester (9CI)
Spectrum DetailBack Directory
[Spectrum Detail]

2-AMINO-4,6-DIFLUOROBENZOIC ACID(126674-77-9)1HNMR
Hazard InformationBack Directory
[Synthesis]

4,6-DIFLUOROINDOLINE-2,3-DIONE

126674-93-9

2-AMINO-4,6-DIFLUOROBENZOIC ACID

126674-77-9

Stage 3: Synthesis of 2-amino-4,6-difluorobenzoic acid A solution of sodium hydroxide (6.70 g, 167 mmol) and 30% hydrogen peroxide (6.7 mL) in water (60 mL) was added dropwise to a suspension of the stage 2 product (4.58 g, 25 mmol) in water (125 mL) and the reaction was carried out at 0 °C. Subsequently, the reaction mixture was stirred at room temperature for 20 hours. Upon completion of the reaction, the pH was adjusted to 3 with formic acid (~11 mL, taking care to control the rate of addition to prevent violent foaming), at which point the target compound began to precipitate. The precipitate was collected by filtration and dried in a desiccator using phosphorus pentoxide to give 3.72 g of white solid product (86% yield). The melting point of the product was 198-202 °C.

[References]

[1] Patent: US2008/293749, 2008, A1. Location in patent: Page/Page column 14
[2] Journal of Medicinal Chemistry, 2006, vol. 49, # 22, p. 6465 - 6488
[3] Organic Process Research and Development, 2010, vol. 14, # 5, p. 1078 - 1087
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