6-Benzyloxy-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine

Base Information

Chemical Name:6-Benzyloxy-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine
CAS No.:649736-27-6
Molecular Formula:C14H12ClN3O
Molecular Weight:273.722
Hs Code.:2933990090
DSSTox Substance ID:DTXSID40469839
Wikidata:Q82297731
Mol file:649736-27-6.mol

Synonyms:649736-27-6;6-Benzyloxy-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;6-(benzyloxy)-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine;4-chloro-5-methyl-6-phenylmethoxypyrrolo[2,1-f][1,2,4]triazine;SCHEMBL1226964;DTXSID40469839;JNAABNDXDSYVGA-UHFFFAOYSA-N;AKOS015949417;PB17892;CS-0055249;FT-0685178;P11264;J-518275;6-benzyloxy-4-chloro-5-methyl-pyrrolo[2,1-f][1,2,4]triazine

Suppliers and Price of 6-Benzyloxy-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
6-(Benzyloxy)-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine 95+%
1g
$ 1019.00

Chemenu
6-(Benzyloxy)-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine 95%+
250mg
$ 1940.00

Chemenu
6-(Benzyloxy)-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine 95%+
100mg
$ 1201.00

Total 10 raw suppliers

Chemical Property of 6-Benzyloxy-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine

Chemical Property:

PKA:-2.87±0.30(Predicted)
PSA：39.42000
Density:1.31±0.1 g/cm3(Predicted)
LogP:3.27010
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:273.0668897
Heavy Atom Count:19
Complexity:298

Purity/Quality:

97% ^*data from raw suppliers

6-(Benzyloxy)-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C2C(=NC=NN2C=C1OCC3=CC=CC=C3)Cl

Technology Process of 6-Benzyloxy-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine

There total 5 articles about 6-Benzyloxy-4-chloro-5-methylpyrrolo[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: 93.0%

: 649736-26-5
6-(benzyloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-ol

: 21295-50-1
phosphorus (III) oxychloride

: 649736-27-6
6-(benzyloxy)-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine

Guidance literature:: With 1,1-diisopropylethylamine; In toluene; at 85 ℃; for 5h;

Reference yield:

: 649736-26-5
6-(benzyloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-ol

: 649736-27-6
6-(benzyloxy)-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine

Guidance literature:: With N-ethyl-N,N-diisopropylamine; trichlorophosphate; In toluene; at 120 ℃; for 4h;
DOI:10.1021/jm051106d

Reference yield:

: 310444-84-9
4-Phenoxy-5-methyl-6-hydroxypyrrolo[2,1-f][1,2,4]triazine

: 649736-27-6
6-(benzyloxy)-4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine

Guidance literature:: Multi-step reaction with 3 steps

1: K₂CO₄ / acetonitrile / 1 h / 70 °C

2: 340 mg / aq. HCl / methanol / 2 h / 80 °C

3: POCl₃; N,N'-diisopropylethylamine / toluene / 4 h / 120 °C

With hydrogenchloride; potassium peroxomonocarbonate; N-ethyl-N,N-diisopropylamine; trichlorophosphate; In methanol; toluene; acetonitrile;
DOI:10.1021/jm051106d