2-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid

Base Information

Chemical Name:2-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid
CAS No.:106363-02-4
Molecular Formula:C₁₂H₉ClN₄O₂S
Molecular Weight:308.748
Hs Code.:
DSSTox Substance ID:DTXSID401142796

Synonyms:DTXSID401142796;AKOS034677156;2-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid;106363-02-4;Z90277987;6-(4-Chlorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine-7-acetic acid

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

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Chemical Property of 2-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:308.0134744
Heavy Atom Count:20
Complexity:414

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NN3C=NN=C3SC2CC(=O)O)Cl

Technology Process of 2-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid

There total 3 articles about 2-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic acid 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: 83.0%

: 106362-93-0
[6-(4-Chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-acetic acid ethyl ester

: 106363-02-4
[6-(4-Chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-acetic acid

Guidance literature:: With sodium hydroxide; In methanol; Heating;

Reference yield:

: 53503-49-4
ethyl 4-(4-chlorophenyl)-4-oxobutanoate

: 106363-02-4
[6-(4-Chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 76 percent / Br₂, anh. AlCl₃ / CHCl₃

2: 65 percent / ethanol / 24 h / Heating

3: 83 percent / 7percent NaOH / methanol / Heating

With sodium hydroxide; aluminium trichloride; bromine; In methanol; ethanol; chloroform;

Reference yield:

: 35158-46-4
3-bromo-4-(4-chloro-phenyl)-4-oxo-butyric acid ethyl ester

: 106363-02-4
[6-(4-Chloro-phenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-acetic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 65 percent / ethanol / 24 h / Heating

2: 83 percent / 7percent NaOH / methanol / Heating

With sodium hydroxide; In methanol; ethanol;