4-Ethylbenzene-1,2,3-triol

Base Information

• Chemical Name: 4-Ethylbenzene-1,2,3-triol
• CAS No.: 16555-68-3
• Molecular Formula: C8H10O3
• Molecular Weight: 154.166
• ChEMBL ID: CHEMBL1276108
• DSSTox Substance ID: DTXSID80514014
• Nikkaji Number: J802.020E
• Mol file: 16555-68-3.mol

Synonyms:4-Ethylbenzene-1,2,3-triol;143502-72-1;CHEMBL1276108;4-Ethylpyrogallol;SCHEMBL2475390;DTXSID80514014;BDBM50483043

Chemical Property of 4-Ethylbenzene-1,2,3-triol

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 154.062994177
• Heavy Atom Count: 11
• Complexity: 127

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C(=C(C=C1)O)O)O

Technology Process of 4-Ethylbenzene-1,2,3-triol

There total 1 articles about 4-Ethylbenzene-1,2,3-triol 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%

2',3',4'-trihydroxyacetophenone (528-21-2) → 4-ethyl-pyrogallol (16555-68-3)

Guidance literature:

With phosphoric acid; 1% Pd/C; hydrogen; In methanol; water; under 5250.53 Torr; Heating; Autoclave;

DOI:10.1016/j.tet.2010.03.068

Reference yield: 53.0%

4-ethyl-pyrogallol (16555-68-3) + acetic anhydride (108-24-7) → 5-Ethyl-2,3,4-trihydroxy-acetophenon (86989-84-6)

Guidance literature:

With zinc(II) chloride; In acetic acid; at 140 - 145 ℃; for 0.5h;

Reference yield:

4-ethyl-pyrogallol (16555-68-3) + acetic acid (64-19-7,77671-22-8) → 5-Ethyl-2,3,4-trihydroxy-acetophenon (86989-84-6)

Guidance literature:

With diethyl ether; boron trifluoride;

DOI:10.1021/ja01150a079

upstream raw materials:

2',3',4'-trihydroxyacetophenone

Downstream raw materials:

5-Ethyl-2,3,4-trihydroxy-acetophenon

6-ethyl-7,8-dihydroxy-4-methyl-coumarin

1-(5-Ethyl-2,3,4-trihydroxy-phenyl)-2,2,2-trifluoro-ethanone

4-Ethylpyrogallol-trimethylether