{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Base Information

Chemical Name:{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
CAS No.:18204-66-5
Molecular Formula:C17H15N3O3S
Molecular Weight:341.38400
Hs Code.:
DSSTox Substance ID:DTXSID90357590
ChEMBL ID:CHEMBL431517
Mol file:18204-66-5.mol

Synonyms:18204-66-5;Acetic acid, 2-[[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-;ST078811;CBKinase1_000840;CBKinase1_013240;Cambridge id 5880248;CHEMBL431517;DTXSID90357590;SMSF0009103;{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;AKOS002259143;CB00901;AB00100169-01;BRD-K91184236-001-01-1;{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid

Suppliers and Price of {[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

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

American Custom Chemicals Corporation
(5-(4-METHOXY-PHENYL)-4-PHENYL-4H-(1,2,4)TRIAZOL-3-YLSULFANYL)-ACETIC ACID 95.00%
5MG
$ 498.53

Total 0 raw suppliers

Chemical Property of {[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Chemical Property:

PSA：102.54000
LogP:3.11960
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:341.08341252
Heavy Atom Count:24
Complexity:412

Purity/Quality:: (5-(4-METHOXY-PHENYL)-4-PHENYL-4H-(1,2,4)TRIAZOL-3-YLSULFANYL)-ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O

Technology Process of {[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

There total 6 articles about {[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}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: 92.0%

: 91759-71-6
ethyl 2-(5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-ylthio)acetate

: 18204-66-5
[5-(4-methoxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid

Guidance literature:: With sodium hydroxide; for 4h; Heating;
DOI:10.1021/jm00378a007

Reference yield:

: 94-30-4
ethyl 4-methoxybenzoate

: 18204-66-5
[5-(4-methoxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: H₂NNH₂*H₂O / aq. ethanol / 6 h / Heating

2: ethanol / 4 h / Heating

3: 98 percent / aq. NaOH / 3 h / Heating

4: 72 percent / K₂CO₃ / acetone / 8 h / Heating

5: 92 percent / aq. NaOH / 4 h / Heating

With sodium hydroxide; potassium carbonate; hydrazine hydrate; In ethanol; acetone;
DOI:10.1021/jm00378a007

Reference yield:

: 91759-66-9
2-(4-methoxybenzoyl)-N-phenylhydrazinecarbothioamide

: 18204-66-5
[5-(4-methoxy-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 98 percent / aq. NaOH / 3 h / Heating

2: 72 percent / K₂CO₃ / acetone / 8 h / Heating

3: 92 percent / aq. NaOH / 4 h / Heating

With sodium hydroxide; potassium carbonate; In acetone;
DOI:10.1021/jm00378a007