3-(3-Amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol

Base Information

Chemical Name:3-(3-Amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol
CAS No.:867331-09-7
Molecular Formula:C14H11ClN4O
Molecular Weight:286.721
Hs Code.:
ChEMBL ID:CHEMBL218317
DSSTox Substance ID:DTXSID60467771
Wikidata:Q82294839

Synonyms:CHEMBL218317;867331-09-7;3-(3-amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol;SCHEMBL4265952;DTXSID60467771;WGOCYFJXNFKHER-UHFFFAOYSA-N;3-(3-amino-5-methylbenzo[e][1,2,4]triazin-7-yl)-4-chlorophenol;BDBM50193904;3-(3-amino-5-methyl-1,2,4-benzotriazin-7-yl)-4-chlorophenol

Suppliers and Price of 3-(3-Amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 3-(3-Amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:286.0621387
Heavy Atom Count:20
Complexity:345

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=CC2=C1N=C(N=N2)N)C3=C(C=CC(=C3)O)Cl

Technology Process of 3-(3-Amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol

There total 5 articles about 3-(3-Amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol 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: 80.0%

: 867330-26-5
7-bromo-5-methyl-1,2,4-benzotriazin-3-ylamine

: 913835-71-9
(2-chloro-5-hydroxy-phenyl)boronic acid

: 867331-09-7
3-(3-amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol

Guidance literature:: With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; ethanol; water; for 3h; Heating;
DOI:10.1016/j.bmcl.2006.08.035

Reference yield: 73.0%

: 867330-72-1
7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazine-3-ylamine

: 867331-09-7
3-(3-amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol

Guidance literature:: 7-(2-chloro-5-methoxyphenyl)-5-methyl-1,2,4-benzotriazine-3-ylamine; With boron tribromide; In dichloromethane; at 0 - 20 ℃; for 3.5h;

With water; sodium hydrogencarbonate; In dichloromethane;

Reference yield:

: 677297-87-9
7-bromo-5-methylbenzo[1,2,4]triazin-3-ylamine 1-oxide

: 867331-09-7
3-(3-amino-5-methyl-benzo[1,2,4]triazin-7-yl)-4-chloro-phenol

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / H₂ / Raney Ni / ethanol / 4 h / 20 °C

2: 80 percent / Pd(PPh₃)4; K₂CO₃ / ethanol; 1,2-dimethoxy-ethane; H₂O / 3 h / Heating

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; hydrogen; potassium carbonate; nickel; In 1,2-dimethoxyethane; ethanol; water; 2: Suzuki coupling;
DOI:10.1016/j.bmcl.2006.08.035