5-Nitroso-2,4,6-triaminopyrimidine

Base Information

• Chemical Name: 5-Nitroso-2,4,6-triaminopyrimidine
• CAS No.: 1006-23-1
• Molecular Formula: C4H6N6O
• Molecular Weight: 154.131
• Hs Code.: 2933.59
• NSC Number: 677554,67309
• UNII: 40CQ76T75O
• DSSTox Substance ID: DTXSID0061400
• Nikkaji Number: J217.116C
• Wikidata: Q27258323
• ChEMBL ID: CHEMBL1872346
• Mol file: 1006-23-1.mol

Synonyms:5-nitroso-2,4,6-triaminopyrimidine

Chemical Property of 5-Nitroso-2,4,6-triaminopyrimidine

Chemical Property:

• Appearance/Colour: orange solid
• Vapor Pressure: 3.78E-15mmHg at 25°C
• Melting Point: 300 °C
• Refractive Index: 1.834
• Boiling Point: 602.9 °C at 760 mmHg
• PKA: 4.07±0.10(Predicted)
• Flash Point: 318.4 °C
• PSA: 133.27000
• Density: 2.19 g/cm³
• LogP: 1.36470
• Storage Temp.: -20°C Freezer
• Solubility.: DMF (Slightly, Heated), DMSO (Slightly, Heated)
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 154.06030884
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

5-Nitroso-2,4,6-triaminopyrimidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi
• Statements: 36/37/38-20/21/22
• Safety Statements: 24/25-36-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=C(N=C(N=C1N)N)N)N=O
• Uses: 5-Nitroso-2,4,6-triaminopyrimidine (cas# 1006-23-1) is a compound useful in organic synthesis.

Technology Process of 5-Nitroso-2,4,6-triaminopyrimidine

There total 7 articles about 5-Nitroso-2,4,6-triaminopyrimidine 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: 92.0%

2,4,6-triaminopyrimidine (1004-38-2) → 5-nitroso-2,4,6-triaminopyrimidine (1006-23-1)

Guidance literature:

With acetic acid; sodium nitrite; In water; at 20 ℃; for 0.25h;

DOI:10.1021/jm501434y

Reference yield: 72.0%

guanidine salt of 2-(hydroxyimino)propanedinitrile (92972-47-9) → 5-nitroso-2,4,6-triaminopyrimidine (1006-23-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 0.5h; Heating;

DOI:10.1002/jhet.5570220547

Reference yield: 60.0%

2,4,6-triaminopyrimidine (1004-38-2) → 2,4,5,6-tetraaminopyrimidine sulfite + 5-nitroso-2,4,6-triaminopyrimidine (1006-23-1)

Guidance literature:

With acetic acid; sodium nitrite; In water;

upstream raw materials:

2,4,6-triaminopyrimidine

guanidine salt of 2-(hydroxyimino)propanedinitrile

diguanidine carbonate

guanidine hydrochloride

Downstream raw materials:

6,8-diamino-1H-pyrimido[5,4-g]pteridine-2,4-dione

pyrimido[5,4-g]pteridine-2,4,6,8-tetramine p-tosylate (1:1)

2,6-diaminopurine

triamterene

Refernces

• 1、 -. "Synthetic method of triamterene intermediate". Paragraph 0015-0017. . Retrieved 2021/07/28.
• 2、 Werbel,Elslager,Johnson. "Synthesis of selected 3-substituted-pyrimido[5,4-e]-1,2,4-triazine-5,7-diamines as potential folate antagonists [1,2]". . p. 1369 - 1372. Retrieved 2007/10/02.