4-Aminobenzene-1,2-diol hydrochloride

Base Information

• Chemical Name: 4-Aminobenzene-1,2-diol hydrochloride
• CAS No.: 4956-56-3
• Molecular Formula: C₆H₇NO₂*ClH
• Molecular Weight: 161.588
• European Community (EC) Number: 837-453-6
• DSSTox Substance ID: DTXSID90509491
• NSC Number: 33028
• Mol file: 4956-56-3.mol

Synonyms:4-aminocatechol;4-aminocatechol hydrochloride;A 3253;A-3253

Chemical Property of 4-Aminobenzene-1,2-diol hydrochloride

Chemical Property:

• Melting Point: >180°C (dec.)
• Boiling Point: 351.9°Cat760mmHg
• Flash Point: 166.6°C
• PSA: 66.48000
• Density: 1.412g/cm³
• LogP: 2.06320
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• 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

4-AminocatecholHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)O)O.Cl
• Uses: 4-Aminocatechol Hydrochloride is an acidic salt form of 4-Aminocatechol (A603280). 4-Aminocatechol is a phenol derivative with inhibitory activity against matrix metalloproteinase (MMP).

Technology Process of 4-Aminobenzene-1,2-diol hydrochloride

There total 1 articles about 4-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: 77.0%

1,2-dihydroxy-4-nitrobenzene (3316-09-4) → 4-aminobenzene-1,2-diol hydrochloride (4956-56-3)

Guidance literature:

1,2-dihydroxy-4-nitrobenzene; With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; under 760.051 Torr;

With hydrogenchloride; In diethyl ether; for 0.25h;

Reference yield:

4-aminobenzene-1,2-diol hydrochloride (4956-56-3) + chloroacetyl chloride (79-04-9) → chloro-acetic acid-(3,4-dihydroxy-anilide) (53527-18-7)

Guidance literature:

With sodium hydroxide; In ethanol; dichloromethane; water;

DOI:10.1016/j.bmcl.2015.08.031

upstream raw materials:

1,2-dihydroxy-4-nitrobenzene

Downstream raw materials:

chloro-acetic acid-(3,4-dihydroxy-anilide)

Refernces