3,5-Difluoro-4-hydroxybenzoic acid

Base Information

• Chemical Name: 3,5-Difluoro-4-hydroxybenzoic acid
• CAS No.: 74799-63-6
• Molecular Formula: C7H4F2O3
• Molecular Weight: 174.1
• Hs Code.: 2918290090
• European Community (EC) Number: 958-974-6
• Nikkaji Number: J1.298.342E
• Mol file: 74799-63-6.mol

Synonyms:3,5-difluoro-4-hydroxybenzoic acid;74799-63-6;Benzoic acid, 3,5-difluoro-4-hydroxy-;SCHEMBL4365047;ONYKRDQINKHFQS-UHFFFAOYSA-N;3,5-Difluoro-4-hydroxybenzoicacid;MFCD12406861;AKOS012486205;AM84168;AS-19928;CS-0037046;EN300-97260;A856461;Z1097087058

Chemical Property of 3,5-Difluoro-4-hydroxybenzoic acid

Chemical Property:

• Boiling Point: 280.7±40.0 °C(Predicted)
• PKA: 3.89±0.10(Predicted)
• PSA: 57.53000
• Density: 1.600±0.06 g/cm3(Predicted)
• LogP: 1.36860
• Storage Temp.: 2-8°C
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 174.01285031
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

97% ^*data from raw suppliers

3,5-Difluoro-4-hydroxybenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)O)F)C(=O)O

Technology Process of 3,5-Difluoro-4-hydroxybenzoic acid

There total 1 articles about 3,5-Difluoro-4-hydroxybenzoic 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:

4-hydroxy-benzoic acid (99-96-7) → 3-fluoro-4-hydroxybenzoic acid (350-29-8) + 3,5-difluoro-4-hydroxybenzoic acid (74799-63-6)

Guidance literature:

With formic acid; fluorine; at 10 ℃; for 1.75h; Title compound not separated from byproducts;

DOI:10.1016/S0022-1139(99)00238-9

Reference yield: 95.0%

3,5-difluoro-4-hydroxybenzoic acid (74799-63-6) + methyl iodide (74-88-4) → Methyl 3,5-difluoro-4-methoxybenzoate (329-45-3)

Guidance literature:

3,5-difluoro-4-hydroxybenzoic acid; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

DOI:10.1021/ja311729d

Reference yield:

3,5-difluoro-4-hydroxybenzoic acid (74799-63-6) → 2,6-difluoro-4-(hydroxymethyl)phenol (206198-07-4)

Guidance literature:

3,5-difluoro-4-hydroxybenzoic acid; With 1H-imidazole; tert-butyldimethylsilyl chloride; In N,N-dimethyl-formamide; for 20h;

With borane-THF; In tetrahydrofuran; at 50 ℃; for 4h;

With lithium aluminium tetrahydride; In tetrahydrofuran; for 6h; Reflux;

upstream raw materials:

4-hydroxy-benzoic acid

Downstream raw materials:

Methyl 3,5-difluoro-4-methoxybenzoate

3,5-difluoro-4-methoxybenzohydrazide

3-(5-(3,5-difluoro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzene-1-sulfonyl fluoride

3-(5-(3,5-difluoro-4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl)benzene-1-sulfonyl fluoride