3-FLUORO-5-(METHOXYCARBONYL)BENZOIC ACID

Base Information

• Chemical Name: 3-FLUORO-5-(METHOXYCARBONYL)BENZOIC ACID
• CAS No.: 660416-36-4
• Molecular Formula: C9H7FO4
• Molecular Weight: 198.151
• Mol file: 660416-36-4.mol

Synonyms:3-FLUORO-5-(METHOXYCARBONYL)BENZOIC ACID;5-FLUOROISOPHTHALIC ACID MONOMETHYL ESTER;CHEMPACIFIC 41253;5-FLUROISOPHTHALIC ACID MONOMETHYLESTERMONO-METHYL 5-NITROISOPHTHALATE

Chemical Property of 3-FLUORO-5-(METHOXYCARBONYL)BENZOIC ACID

Chemical Property:

• Boiling Point: 348.6±32.0 °C(Predicted)
• PKA: 3.49±0.10(Predicted)
• PSA: 63.60000
• Density: 1.375±0.06 g/cm3(Predicted)
• LogP: 1.31050

Purity/Quality:

95% ^*data from raw suppliers

3-Fluoro-5-(methoxycarbonyl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-FLUORO-5-(METHOXYCARBONYL)BENZOIC ACID

There total 1 articles about 3-FLUORO-5-(METHOXYCARBONYL)BENZOIC 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: 83.0%

dimethyl 5-fluoroisophthalate (17449-48-8) → 3-fluoro-5-(methoxycarbonyl)benzoic acid (660416-36-4)

Guidance literature:

dimethyl 5-fluoroisophthalate; With sodium hydroxide; water; In methanol; at 20 ℃;

With hydrogenchloride; In water; pH=2;

Reference yield: 58.0%

3-fluoro-5-(methoxycarbonyl)benzoic acid (660416-36-4) + di-n-propylamine (142-84-7) → methyl 3-(dipropylcarbamoyl)-5-fluorobenzoate

Guidance literature:

3-fluoro-5-(methoxycarbonyl)benzoic acid; di-n-propylamine; With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In N,N-dimethyl-formamide; at 0 ℃; for 0.0833333h; Inert atmosphere;

With triethylamine; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2018.11.068

Reference yield: 54.0%

3-fluoro-5-(methoxycarbonyl)benzoic acid (660416-36-4) → methyl 3-(hydroxymethyl)benzoate (67853-03-6)

Guidance literature:

3-fluoro-5-(methoxycarbonyl)benzoic acid; With triethylamine; isobutyl chloroformate; In dichloromethane; at 0 - 20 ℃; for 2h;

With sodium tetrahydroborate; In tetrahydrofuran; water; for 1h;

upstream raw materials:

dimethyl 5-fluoroisophthalate

Downstream raw materials:

methyl 3-(hydroxymethyl)benzoate

Refernces

• 1、 -. "NEW COMPOUNDS". Page 100-101. . Retrieved 2010/02/06.