3,4-Diaminophenol

Base Information

• Chemical Name: 3,4-Diaminophenol
• CAS No.: 615-72-5
• Molecular Formula: C6H8N2O
• Molecular Weight: 124.142
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID60378272
• Nikkaji Number: J95.553A
• Wikidata: Q82167826
• Mol file: 615-72-5.mol

Synonyms:3,4-diaminophenol;615-72-5;3,4-diamino-phenol;Phenol, 3,4-diamino-;1028328-27-9;SCHEMBL543834;4-hydroxy-1,2-phenylenediamine;DTXSID60378272;OVOZYARDXPHRDL-UHFFFAOYSA-N;MFCD06799539;AKOS003574163;MB04238;FT-0700063;FT-0732464;EN300-112859;N12481

Chemical Property of 3,4-Diaminophenol

Chemical Property:

• Melting Point: 170-172 °C
• Boiling Point: 356.5±27.0 °C(Predicted)
• PKA: 10.28±0.18(Predicted)
• PSA: 72.27000
• Density: 1.343±0.06 g/cm3(Predicted)
• LogP: 1.71900
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 124.063662883
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

98% ^*data from raw suppliers

3,4-Diaminophenol ^*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)N

Technology Process of 3,4-Diaminophenol

There total 13 articles about 3,4-Diaminophenol 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: 100.0%

4-hydroxy-2-nitroaniline (610-81-1) → 3,4-diaminophenol (615-72-5)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In ethanol; for 3.5h;

Reference yield: 96.0%

3,4-dinitophenol (577-71-9) → 3,4-diaminophenol (615-72-5)

Guidance literature:

With sodium tetrahydroborate; nickel(II) chloride hexahydrate; In water; acetonitrile; at 20 ℃; for 0.333333h;

Reference yield:

4-acetamido-3-nitrophenyl acetate (2243-69-8) → 3,4-diaminophenol (615-72-5)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH-solution

2: tin; hydrochloric acid

With hydrogenchloride; sodium hydroxide; tin;

upstream raw materials:

3,4-dinitophenol

4-hydroxy-2-nitroaniline

(4-ethoxy-2-amino-phenyl)-carbamic acid ethyl ester

benzo[1,2,5]thiadiazol-5-ol

Downstream raw materials:

(6R,7R)-3-Acetoxymethyl-7-(5-hydroxy-1H-benzoimidazol-2-ylamino)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

(6R,7R)-7-(5-Hydroxy-1H-benzoimidazol-2-ylamino)-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester

2-methyl-1H-benzo[d]imidazol-6-ol

2-isopropyl-3H-benzoimidazol-5-ol

Refernces

• 1、 Sasaki, Eita,Kojima, Hirotatsu,Nishimatsu, Hiroaki,Urano, Yasuteru,Kikuchi, Kazuya,Hirata, Yasunobu,Nagano, Tetsuo. "Highly sensitive near-infrared fluorescent probes for nitric oxide and their application to isolated organs". . p. 3684 - 3685. Retrieved 2005.
• 2、 Muth, Mathis-Andreas,Carrasco-Orozco, Miguel,Thelakkat, Mukundan. "Liquid-crystalline perylene diester polymers with tunable charge-carrier mobility". . p. 4510 - 4518. Retrieved 2011.
• 3、 Harikrishnan, Kaloor S.,Krishnan, Nithiyanandan,Kumar, Nilima Manoj,Krishna, Anusree,Raj, Gowtham,Perumal, Devanathan,Kalathil, Jemshiya,Krishna, Jithu,Varghese, Reji. "Galactose Grafted Two-Dimensional Nanosheets as a Scaffold for the In Situ Synthesis of Silver Nanoparticles: A Potential Catalyst for the Reduction of Nitroaromatics". . p. 14100 - 14107. Retrieved 2021/09/06.