2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine

Base Information

• Chemical Name: 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine
• CAS No.: 918538-05-3
• Molecular Formula: C6H3Cl2N3
• Molecular Weight: 188.016
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID10580282
• Wikidata: Q72468134
• Mol file: 918538-05-3.mol

Synonyms:918538-05-3;2,4-dichloropyrrolo[2,1-f][1,2,4]triazine;2,4-Dichloropyrrolo[1,2-f][1,2,4]triazine;2,4-Dichloro-pyrrolo[2,1-f][1,2,4]triazine;MFCD11044885;Pyrrolo[2,1-f][1,2,4]triazine, 2,4-dichloro-;SCHEMBL10258881;DTXSID10580282;BSZGZNRUUJXKKQ-UHFFFAOYSA-N;BCP13924;CS-D0127;AKOS006307849;GS-4057;PB32920;AC-24385;SY007058;AM20120327;EN300-298917;A844084;J-507190;Z1198307641;2 pound not4-Dichloropyrrolo[2 pound not1-f][1 pound not2 pound not4]triazine

Chemical Property of 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine

Chemical Property:

• Refractive Index: 1.733
• PKA: -5.36±0.30(Predicted)
• PSA: 30.19000
• Density: 1.696 g/cm³
• LogP: 2.03610
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.9704025
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

2,4-dichloropyrrolo[2,1-f][1,2,4]triazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN2C(=C1)C(=NC(=N2)Cl)Cl

Technology Process of 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine

There total 7 articles about 2,4-Dichloropyrrolo[2,1-f][1,2,4]triazine 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: 98.0%

2,4-dihydroxypyrrolo[2,1-f][1,2,4]triazine → 2,4-dichloro-pyrrolo[2,1-f][1,2,4]triazine (918538-05-3)

Guidance literature:

With thionyl chloride; at 150 ℃; for 0.166667h; Microwave irradiation;

Reference yield: 86.0%

pyrrolo[2,1-f][1,2,4]triazine-2,4(1H, 3H)-dione (918538-04-2) → 2,4-dichloro-pyrrolo[2,1-f][1,2,4]triazine (918538-05-3)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; trichlorophosphate; In toluene; at 120 ℃; for 20h; Sealed tube;

Reference yield:

1-(ethoxyformamido)-1H-pyrrole-2-carboxamide (1379337-32-2) → 2,4-dichloro-pyrrolo[2,1-f][1,2,4]triazine (918538-05-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 17 h / 155 °C

2: N-ethyl-N,N-diisopropylamine; trichlorophosphate / toluene / 24 h / 125 °C

With N-ethyl-N,N-diisopropylamine; trichlorophosphate; In toluene;

upstream raw materials:

pyrrolo[2,1-f][1,2,4]triazine-2,4(1H, 3H)-dione

1-(ethoxyformamido)-1H-pyrrole-2-carboxamide

1-aminopyrrole-2-carboxamide

N-amino-1H-pyrrole-2-carbonitrile

Downstream raw materials:

2-((4-(4-((5-methyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-1-piperazinyl)carbonyl)benzonitrile

4-((4-(4-((5-methyl-1H-pyrazol-3-yl)amino)pyrrolo[2,1-f][1,2,4]triazin-2-yl)-1-piperazinyl)carbonyl)benzonitrile

2-(4-(2-methoxybenzoyl)-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

2-(4-(2-chlorobenzoyl)-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine