alpha-Hydroxy-alpha-phenyl-1,3-benzodioxole-5-acetic acid

Base Information

• Chemical Name: alpha-Hydroxy-alpha-phenyl-1,3-benzodioxole-5-acetic acid
• CAS No.: 128622-18-4
• Molecular Formula: C₁₅H₁₂O₅
• Molecular Weight: 272.257
• DSSTox Substance ID: DTXSID001231713

Synonyms:alpha-Hydroxy-alpha-phenyl-1,3-benzodioxole-5-acetic acid;DTXSID001231713;128622-18-4

Chemical Property of alpha-Hydroxy-alpha-phenyl-1,3-benzodioxole-5-acetic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 272.06847348
• Heavy Atom Count: 20
• Complexity: 365

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C(C3=CC=CC=C3)(C(=O)O)O

Technology Process of alpha-Hydroxy-alpha-phenyl-1,3-benzodioxole-5-acetic acid

There total 1 articles about alpha-Hydroxy-alpha-phenyl-1,3-benzodioxole-5-acetic 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: 95.0%

1-(benzo[d][1,3]dioxol-5-yl)-2-phenylethane-1,2-dione (86358-27-2) → benzo[1,3]dioxol-5-yl-hydroxy-phenyl-acetic acid (128622-18-4)

Guidance literature:

With potassium hydroxide; at 80 ℃; for 6h;

Reference yield:

benzo[1,3]dioxol-5-yl-hydroxy-phenyl-acetic acid (128622-18-4) + 2-(diethylamino)ethyl chloride (100-35-6) → benzo[1,3]dioxol-5-yl-hydroxy-phenyl-acetic acid-(2-diethylamino-ethyl ester); hydrochloride (114697-92-6)

Guidance literature:

With isopropyl alcohol;

DOI:10.1021/jo01104a007

upstream raw materials:

1-(benzo[d][1,3]dioxol-5-yl)-2-phenylethane-1,2-dione

Downstream raw materials:

benzo[1,3]dioxol-5-yl-hydroxy-phenyl-acetic acid-(2-diethylamino-ethyl ester); hydrochloride

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