Methyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate

Base Information

Chemical Name:Methyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CAS No.:148693-78-1
Molecular Formula:C₁₆H₁₄N₄O₂S
Molecular Weight:326.379
Hs Code.:
DSSTox Substance ID:DTXSID101154718

Synonyms:BAS 02054375;DTXSID101154718;AKOS000589151;Z54130324;Methyl 2-[[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetate;148693-78-1

Suppliers and Price of Methyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate

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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 Methyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate

Chemical Property:

XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:326.08374688
Heavy Atom Count:23
Complexity:386

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=NC=C3

Technology Process of Methyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate

There total 4 articles about Methyl 2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetate 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: 38.0%

: 96-34-4
methyl chloroacetate

: 16629-40-6
4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol

: 148693-78-1
(4-Phenyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid methyl ester

Guidance literature:: With potassium carbonate; In acetone; for 10h; Heating;
DOI:10.1002/jhet.5570290512

Reference yield:

: 54-85-3,7640-37-1
isoniazid

: 148693-78-1
(4-Phenyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: 53 percent / ethanol / 4 h / Heating

2: 90 percent / aq. sodium hydroxide / 4 h / Heating

3: 38 percent / potassium carbonate / acetone / 10 h / Heating

With sodium hydroxide; potassium carbonate; In ethanol; acetone;
DOI:10.1002/jhet.5570290512

Reference yield:

: 6954-50-3
1-isonicotinoyl-4-phenylthiosemicarbazide

: 148693-78-1
(4-Phenyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 90 percent / aq. sodium hydroxide / 4 h / Heating

2: 38 percent / potassium carbonate / acetone / 10 h / Heating

With sodium hydroxide; potassium carbonate; In acetone;
DOI:10.1002/jhet.5570290512