3-Aminobenzene-1,2-diol hydrochloride

Base Information

• Chemical Name: 3-Aminobenzene-1,2-diol hydrochloride
• CAS No.: 51220-97-4
• Molecular Formula: C6H7NO2.ClH
• Molecular Weight: 161.588
• DSSTox Substance ID: DTXSID50536142
• Mol file: 51220-97-4.mol

Synonyms:3-aminobenzene-1,2-diol hydrochloride;51220-97-4;3-aminobenzene-1,2-diol;hydrochloride;3-amino-catechol hydrochloride;SCHEMBL2293230;DTXSID50536142;3-aminobenzene-1,2-diolhydrochloride;SB76164;A847093;3-Aminobenzene-1,2-diol--hydrogen chloride (1/1)

Chemical Property of 3-Aminobenzene-1,2-diol hydrochloride

Chemical Property:

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 161.0243562
• Heavy Atom Count: 10
• Complexity: 97.1

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)O)O)N.Cl

Technology Process of 3-Aminobenzene-1,2-diol hydrochloride

There total 3 articles about 3-Aminobenzene-1,2-diol hydrochloride 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: 75.0%

C17H23NO4 → 3-aminopyrocatechol hydrochloride (51220-97-4)

Guidance literature:

With hydrogenchloride; In ethanol; 1.) room temperature, 8 h, 2.) reflux, overnight;

DOI:10.1080/00397919708004075

Reference yield:

1-nitro-2,3-dihydroxy-5-bromobenzene (671779-99-0) → 3-aminopyrocatechol hydrochloride (51220-97-4)

Guidance literature:

With hydrogenchloride; hydrogen; In methanol; for 24h; under 38000 Torr;

DOI:10.1016/j.tet.2003.02.004

Reference yield:

spiro[benzo[d][1,3]dioxole-2,1'-cyclohexane] (182-55-8) → 3-aminopyrocatechol hydrochloride (51220-97-4)

Guidance literature:

Multi-step reaction with 2 steps

2: 75 percent / aq. HCl / ethanol / 1.) room temperature, 8 h, 2.) reflux, overnight

With hydrogenchloride; In ethanol;

DOI:10.1080/00397919708004075

upstream raw materials:

1-nitro-2,3-dihydroxy-5-bromobenzene

spiro[benzo[d][1,3]dioxole-2,1'-cyclohexane]

Downstream raw materials:

2,3-dihydroxyacetanilide

7-Hydroxy-benzoxazolon

1,2-diacetoxy-3-acetylamino-benzene

Refernces

• 1、 Heinrich, Markus R.,Steglich, Wolfgang. "Effective syntheses of quinoline-7,8-diol, 5-amino-L-DOPA, and 3-(7,8-dihydroxyquinolin-5-yl)-L-alanine". . p. 9231 - 9237. Retrieved 2007/10/03.