2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid

Base Information

Chemical Name:2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid
CAS No.:443637-33-0
Molecular Formula:C₂₀H₂₀N₄O₃S
Molecular Weight:396.47
Hs Code.:
ChEMBL ID:CHEMBL1305904
DSSTox Substance ID:DTXSID301321303

Synonyms:CHEMBL1305904;2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid;443637-33-0;MLS000777876;DTXSID301321303;HMS2752L11;BDBM50362681;AKOS003250230;AKOS022132150;2-{[4-methyl-5-(4-{[(2-methylphenyl)carbonyl]amino}phenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanoic acid;SMR000414262;2-{4-Methyl-5-[4-(2-methyl-benzoylamino)-phenyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-propionic acid

Suppliers and Price of 2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic 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-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid

Chemical Property:

XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:396.12561169
Heavy Atom Count:28
Complexity:556

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C3=NN=C(N3C)SC(C)C(=O)O

Technology Process of 2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic Acid

There total 3 articles about 2-[[4-methyl-5-[4-[(2-methylbenzoyl)amino]phenyl]-1,2,4-triazol-3-yl]sulfanyl]propanoic 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:

: 122-04-3
4-nitro-benzoyl chloride

: 443637-33-0
C₂₀H₂₀N₄O₃S

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine / dichloromethane

2: sodium hydroxide / 1 h / Reflux

3: sodium methylate / methanol

With pyridine; sodium methylate; sodium hydroxide; In methanol; dichloromethane;
DOI:10.1016/j.bmcl.2011.12.050

Reference yield:

: 57295-73-5
4-Methyl-1-p-nitrobenzoylthiosemicarbazid

: 443637-33-0
C₂₀H₂₀N₄O₃S

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / 1 h / Reflux

2: sodium methylate / methanol

With sodium methylate; sodium hydroxide; In methanol;
DOI:10.1016/j.bmcl.2011.12.050

Reference yield:

: 57295-74-6
C₉H₈N₄O₂S

: 933-88-0
ortho-toluoyl chloride

: 443637-33-0
C₂₀H₂₀N₄O₃S

Guidance literature:: C₉H₈N₄O₂S; alkyl 2-bromopropanoate; With sodium methylate; In methanol;

With hydrogenchloride; tin; In water;

ortho-toluoyl chloride; Further stages;
DOI:10.1016/j.bmcl.2011.12.050