3-Amino-7-diethylamino-5-phenylphenazin-5-ium

Base Information

• Chemical Name: 3-Amino-7-diethylamino-5-phenylphenazin-5-ium
• CAS No.: 4569-86-2
• Molecular Formula: C22H23ClN4
• Molecular Weight: 378.904
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID80963422
• Nikkaji Number: J239.676I
• ChEMBL ID: CHEMBL1621499
• Mol file: 4569-86-2.mol

Synonyms:MLS001359835;SMR001224409;SCHEMBL3130463;CHEMBL1621499;SCHEMBL20329168;BDBM76299;cid_2733867;DTXSID80963422;VU0419393-1;3-Amino-7-diethylamino-5-phenylphenazin-5-ium;8-(Diethylamino)-10-phenylphenazin-2(10H)-iminium;N2,N2-diethyl-10-phenyl-phenazin-10-ium-2,8-diamine;chloride;N2,N2-diethyl-10-phenylphenazin-10-ium-2,8-diamine;(8-amino-10-phenyl-phenazin-10-ium-2-yl)-diethyl-amine

Chemical Property of 3-Amino-7-diethylamino-5-phenylphenazin-5-ium

Chemical Property:

• Appearance/Colour: dark green crystalline powder
• Melting Point: 285 °C (dec.)(lit.)
• PSA: 46.03000
• LogP: 1.67830
• Storage Temp.: room temp
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 343.19227175
• Heavy Atom Count: 26
• Complexity: 445

Purity/Quality:

98%,99%, ^*data from raw suppliers

Methylene Violet 3RAX Dye content 90% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4
• Uses: Methylene Violet 3RAX is used in preparation of methylene violet derivatives as fluorescent probes for sulfide ion detection. Methylene Violet 3RAX has been used as a reagent in a preparation of citrate methylene violet, which is used for staining yeast cells. It is also used as an internal standard in tandem mass spectrometry (MS/MS) for the quantification of methylene blue in blood samples.

Technology Process of 3-Amino-7-diethylamino-5-phenylphenazin-5-ium

There total 1 articles about 3-Amino-7-diethylamino-5-phenylphenazin-5-ium 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: 35.0%

aniline (62-53-3) + N,N-diethylaniline (93-05-0) → 3-amino-7-(diethylamino)-5-phenylphenazinium chloride (4569-86-2)

Guidance literature:

With hydrogenchloride; potassium dichromate; sodium acetate; acetic acid; In water; at 105 ℃; for 3h; Inert atmosphere; Darkness;

DOI:10.1071/CH16496

Reference yield: 85.0%

3-amino-7-(diethylamino)-5-phenylphenazinium chloride (4569-86-2) + 4-(10,15,20-triphenyl-21H,23H-porphin-5-yl)benzoic acid (95051-10-8) → C67H51N8O(1+)*Cl(1-)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In chloroform; at 60 ℃; for 10h;

DOI:10.1039/c7ra13176c

Reference yield: 80.0%

3-amino-7-(diethylamino)-5-phenylphenazinium chloride (4569-86-2) + [1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid (53-86-1) → C41H37ClN5O3(1+)*Cl(1-)

Guidance literature:

With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In chloroform; at 60 ℃; for 12h;

DOI:10.1071/CH16496

upstream raw materials:

aniline

N,N-diethylaniline

Downstream raw materials:

C₃₄H₃₅N₆⁽¹⁺⁾*C₂F₃O₂^(1-)

C₄₁H₄₀N₉O₂⁽¹⁺⁾*C₂F₃O₂^(1-)

C₃₉H₄₁N₁₁O₇S*C₂HF₃O₂

C₃₁H₃₂N₉⁽¹⁺⁾*C₂F₃O₂^(1-)

Refernces

• 1、 Yang, Ke,Zhang, Xiong,Yang, Fang,Wu, Fengshou,Zhang, Xiulan,Wang, Kai. "DNA Photocleavage and Binding Modes of Methylene Violet 3RAX and its Derivatives: Effect of Functional Groups". . p. 830 - 836. Retrieved 2017.