2-Aminobenzene-1,4-diol

Base Information

• Chemical Name: 2-Aminobenzene-1,4-diol
• CAS No.: 20734-68-3
• Molecular Formula: C6H7NO2
• Molecular Weight: 125.127
• Hs Code.: 2922399020
• DSSTox Substance ID: DTXSID80388510
• Nikkaji Number: J305.036J
• Wikidata: Q27089391
• Metabolomics Workbench ID: 53611
• Mol file: 20734-68-3.mol

Synonyms:2-aminobenzene-1,4-diol;aminohydroquinone;20734-68-3;MFCD19203450;1,4-Benzenediol, 2-amino-;2-aminohydroquinone;3-amino-4-hydroxy phenol;SCHEMBL64970;CHEBI:13769;DTXSID80388510;SBXKRBZKPQBLOD-UHFFFAOYSA-N;2-AMINO-BENZENE-1,4-DIOL;AKOS006338509;SB75521;SY276743;CS-0120722;EN300-92994;A936502;Q27089391;(E)-N4-(7-Chloro-2-(2-chlorostyryl)quinolin-4-yl)-N1,N1-diethylpentane-1,4-diamine tris(phosphate)

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

Chemical Property:

• Melting Point: 216-218 °C(Solv: ethyl ether (60-29-7))
• Boiling Point: 341.3±27.0 °C(Predicted)
• PKA: 10.47±0.18(Predicted)
• PSA: 66.48000
• Density: 1.412±0.06 g/cm3(Predicted)
• LogP: 1.26120
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 125.047678466
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

2-Aminobenzene-1,4-diol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)N)O

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

There total 5 articles about 2-Aminobenzene-1,4-diol 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: 93.0%

2-nitrohydroquinone (16090-33-8) → 2-aminohydroquinone (20734-68-3)

Guidance literature:

With borane-ammonia complex; copper(II) oxide; In methanol; at 50 ℃; for 0.333333h;

DOI:10.1002/cctc.201902391

Reference yield:

1,4-dimethoxy-2-nitrobenzene (89-39-4) → 2-aminohydroquinone (20734-68-3)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen bromide / 3 h / Reflux

2: 10% Pd/C; hydrogen / methanol / 2 h / 20 °C

With 10% Pd/C; hydrogen bromide; hydrogen; In methanol;

DOI:10.1248/cpb.c12-00417

Reference yield:

2,4-diaminophenol (95-86-3) → 2-aminohydroquinone (20734-68-3)

Guidance literature:

With water; In aq. phosphate buffer; pH=5.7; pH-value; Concentration; Electrochemical reaction;

DOI:10.1039/d0nj00421a

upstream raw materials:

2-nitrohydroquinone

Dimethylaminohydrochinon

1,4-dimethoxy-2-nitrobenzene

2,4-diaminophenol

Downstream raw materials:

C₇H₄ClNO₂

5-hydroxy-2,3-dihydro-1,3-benzoxazol-2-one

2-[(2-acetoxybenzoyl)amino]cyclohexa-2,5-diene-1,4-dione

C₁₃H₉NO₄

Refernces

• 1、 Du, Jialei,Chen, Jie,Xia, Hehuan,Zhao, Yiwei,Wang, Fang,Liu, Hong,Zhou, Weijia,Wang, Bin. "Commercially Available CuO Catalyzed Hydrogenation of Nitroarenes Using Ammonia Borane as a Hydrogen Source". . p. 2426 - 2430. Retrieved 2020/03/30.
• 2、 -. "Processes and intermediates for the preparation of N4-phenyl-quinazoline-4-amine derivatives". Page/Page column 62. . Retrieved 2009/09/05.