ChemicalBook--->CAS DataBase List--->1001346-91-3

1001346-91-3

1001346-91-3 Structure

1001346-91-3 Structure
IdentificationBack Directory
[Name]

4-Amino-2-fluoro-5-methoxybenzoic acid
[CAS]

1001346-91-3
[Synonyms]

4-Amino-2-fluoro-5-methoxybenzoic acid
Benzoic acid, 4-amino-2-fluoro-5-methoxy-
4-Amino-2-fluoro-5-methoxybenzoic acid USP/EP/BP
[Molecular Formula]

C8H8FNO3
[MDL Number]

MFCD11849929
[MOL File]

1001346-91-3.mol
[Molecular Weight]

185.15
Chemical PropertiesBack Directory
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[Appearance]

Light yellow to brown Solid
[InChI]

InChI=1S/C8H8FNO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,10H2,1H3,(H,11,12)
[InChIKey]

AOFWIQANMFITAG-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(OC)=C(N)C=C1F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H302-H319
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
[HS Code ]

2922500090
Spectrum DetailBack Directory
[Spectrum Detail]

4-Amino-2-fluoro-5-methoxybenzoic acid(1001346-91-3)1HNMR
4-Amino-2-fluoro-5-methoxybenzoic acid(1001346-91-3)19FNMR
Hazard InformationBack Directory
[Synthesis]

A solution of 2-fluoro-5-methoxy- 4-nitrobenzoic acid (10 g, 46 mmol), HOAc (50 mL), and MeOH (50 mL) was hydrogenated using a hydrogen balloon overnight. The solution was then filtered through celite and concentrated to a residue, which was triturated with ether and ethyl acetate. The solid was filtered and dried to give the product 4-Amino-2-fluoro-5-methoxybenzoic acid as a light yellow powder (8.3 g, 98 %).
[References]

[1] Patent: WO2009/42711, 2009, A1. Location in patent: Page/Page column 266
[2] Patent: US2008/9482, 2008, A1. Location in patent: Page/Page column 134
[3] Patent: WO2008/40951, 2008, A1. Location in patent: Page/Page column 150
[4] Patent: WO2008/40951, 2008, A1. Location in patent: Page/Page column 150
[5] Patent: WO2009/42711, 2009, A1. Location in patent: Page/Page column 387-388
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