Benzeneacetic acid, 2-fluoro-4,5-dimethoxy-

Base Information

• Chemical Name: Benzeneacetic acid, 2-fluoro-4,5-dimethoxy-
• CAS No.: 91407-50-0
• Molecular Formula: C₁₀H₁₁FO₄
• Molecular Weight: 214.193
• DSSTox Substance ID: DTXSID401273565
• Mol file: 91407-50-0.mol

Synonyms:Benzeneacetic acid, 2-fluoro-4,5-dimethoxy-;SCHEMBL14126011;DTXSID401273565;2-Fluoro-4,5-dimethoxybenzeneacetic acid;(2-Fluoro-4,5-dimethoxyphenyl)acetic acid #;Benzeneethanoic acid, 2-fluoro-4,5-dimethoxy-;91407-50-0

Chemical Property of Benzeneacetic acid, 2-fluoro-4,5-dimethoxy-

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 214.06413699
• Heavy Atom Count: 15
• Complexity: 222

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C=C(C(=C1)CC(=O)O)F)OC

Technology Process of Benzeneacetic acid, 2-fluoro-4,5-dimethoxy-

There total 2 articles about Benzeneacetic acid, 2-fluoro-4,5-dimethoxy- 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:

(2-Fluoro-4,5-dimethoxy-phenyl)-trimethylsilanyloxy-acetonitrile → 4,5-Dimethoxy-2-fluorophenylacetic acid (91407-50-0)

Guidance literature:

With hydrogenchloride; SnCl*2H₂O; acetic acid; for 4h; Yield given; Heating;

DOI:10.1016/S0022-1139(00)82354-4

Reference yield:

2-fluoro-4,5-dimethoxybenzaldehyde (71924-62-4) → 4,5-Dimethoxy-2-fluorophenylacetic acid (91407-50-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnI₂ / Ambient temperature

2: HAc, conc. HCl, SnCl*2H₂O / 4 h / Heating

With hydrogenchloride; SnCl*2H₂O; acetic acid; zinc(II) iodide;

DOI:10.1016/S0022-1139(00)82354-4

Reference yield:

methanol (67-56-1) + 4,5-Dimethoxy-2-fluorophenylacetic acid (91407-50-0) → Methyl 4,5-dihydroxy-2-fluorophenyl acetate (141523-25-3)

Guidance literature:

With boron tribromide; Yield given. Multistep reaction; 1.) CH₂Cl₂, rt;

DOI:10.1016/S0022-1139(00)82354-4

upstream raw materials:

2-fluoro-4,5-dimethoxybenzaldehyde

Downstream raw materials:

Methyl 4,5-dimethoxy-2-fluorophenylacetate

Methyl 4,5-dihydroxy-2-fluorophenyl acetate

4,5-Dimethoxy-2-fluorophenylacetohydroxamic acid

3,4-Dihydroxy-2-fluorophenylacetic acid