4-Amino-2-fluoro-3-methylbenzoic acid

Base Information

• Chemical Name: 4-Amino-2-fluoro-3-methylbenzoic acid
• CAS No.: 194804-84-7
• Molecular Formula: C8H8FNO2
• Molecular Weight: 169.155
• Hs Code.: 2922498590
• DSSTox Substance ID: DTXSID70598328
• Wikidata: Q82494077
• Mol file: 194804-84-7.mol

Synonyms:4-amino-2-fluoro-3-methylbenzoic acid;194804-84-7;Benzoic acid, 4-amino-2-fluoro-3-methyl-;4-Amino-2-fluoro-3-methyl-benzoic acid;SCHEMBL5517947;DTXSID70598328;ODKRCZFHARCFGI-UHFFFAOYSA-N;AMY28064;4-amino-2-fluoro-3-methylbenzoicacid;AKOS037645892;SB34827;AS-64627;Benzoic acid,4-aMino-2-fluoro-3-Methyl-;CS-0098654;EN300-174649;W19342;A928767

Chemical Property of 4-Amino-2-fluoro-3-methylbenzoic acid

Chemical Property:

• PSA: 63.32000
• LogP: 1.99570
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.05390666
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

97% ^*data from raw suppliers

4-Amino-2-fluoro-3-methyl-benzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1F)C(=O)O)N

Technology Process of 4-Amino-2-fluoro-3-methylbenzoic acid

There total 8 articles about 4-Amino-2-fluoro-3-methylbenzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.0%

2-fluoro-3-methyl-4-(acetyl)aminobenzoic acid (875145-49-6) → 2-fluoro-3-methyl-4-aminobenzoic acid (194804-84-7)

Guidance literature:

2-fluoro-3-methyl-4-(acetyl)aminobenzoic acid; With sodium hydroxide; In water; at 80 ℃; for 3h;

With hydrogenchloride; In water;

Reference yield: 30.0%

2-fluoro-3-methyl-4-aminophenyl iodide (329927-16-4) + carbon dioxide (124-38-9,18923-20-1) → 2-fluoro-3-methyl-4-aminobenzoic acid (194804-84-7) + 3-fluoro-2-methylaniline (443-86-7)

Guidance literature:

2-fluoro-3-methyl-4-aminophenyl iodide; With para-methylphenylmagnesium bromide; In tetrahydrofuran;

With isopropylmagnesium chloride; In tetrahydrofuran;

carbon dioxide; In tetrahydrofuran;

DOI:10.1021/op200301h

Reference yield:

ethyl 4-amino-2-fluoro-3-methylbenzoate (194804-83-6) → 2-fluoro-3-methyl-4-aminobenzoic acid (194804-84-7)

Guidance literature:

With hydrogenchloride; In ethanol; ethyl acetate;

upstream raw materials:

2-fluoro-3-methyl-4-(acetyl)aminobenzoic acid

ethyl 4-amino-2-fluoro-3-methylbenzoate

C₁₂H₁₄FNO₃

2-fluoro-3-methyl-4-aminophenyl iodide

Downstream raw materials:

4-bromo-2-fluoro-3-methylbenzoic acid

C₂₂H₁₃ClF₅NO₃

C₂₄H₁₃ClF₅NO₄