2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid

Base Information

Chemical Name:2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid
CAS No.:150536-01-9
Molecular Formula:C₁₂H₁₂ClN₃O₂S
Molecular Weight:297.765
Hs Code.:2933990090
DSSTox Substance ID:DTXSID80360654
Nikkaji Number:J508.888G
Wikidata:Q82142509
Mol file:150536-01-9.mol

Synonyms:150536-01-9;2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid;2-{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;2-((5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetic acid;Acetic acid, 2-[[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio]-;{[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]thio}acetic acid;DTXSID80360654;AKOS005186913;EN300-08641;Z55118981;{[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid;2-((5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)aceticacid;{[5-(4-CHLOROPHENYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETICACID

Suppliers and Price of 2-[[5-(4-chlorophenyl)-4-ethyl-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-CHLOROPHENYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
([5-(4-CHLOROPHENYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID 95.00%
2.5G
$ 1227.82

American Custom Chemicals Corporation
([5-(4-CHLOROPHENYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID 95.00%
1G
$ 852.55

AK Scientific
2-{[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}aceticacid
10g
$ 1836.00

AK Scientific
2-{[5-(4-Chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}aceticacid
1g
$ 503.00

Total 2 raw suppliers

Chemical Property of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid

Chemical Property:

Vapor Pressure:7.63E-12mmHg at 25°C
Boiling Point:524.9°Cat760mmHg
PKA:3.09±0.10(Predicted)
Flash Point:271.2°C
PSA：93.31000
Density:1.44g/cm³
LogP:2.79510
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:297.0338755
Heavy Atom Count:19
Complexity:313

Purity/Quality:

97% ^*data from raw suppliers

([5-(4-CHLOROPHENYL)-4-ETHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)Cl

Technology Process of 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic Acid

There total 5 articles about 2-[[5-(4-chlorophenyl)-4-ethyl-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: 77.0%

: 150535-89-0
[5-(4-Chloro-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid methyl ester

: 150536-01-9
[5-(4-Chloro-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid

Guidance literature:: With sodium hydroxide; for 4h; Heating;
DOI:10.1002/jhet.5570290512

Reference yield:

: 7335-27-5
ethyl 4-chlorobenzoate

: 150536-01-9
[5-(4-Chloro-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid

Guidance literature:: Multi-step reaction with 5 steps

1: 87 percent / hydrazine hydrate / ethanol / 6 h / Heating

2: 98 percent / ethanol / 4 h / Heating

3: 92 percent / aq. sodium hydroxide / 4 h / Heating

4: 52 percent / potassium carbonate / acetone / 10 h / Heating

5: 77 percent / aq. sodium hydroxide / 4 h / Heating

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

Reference yield:

: 26131-22-6
1-(4-chloro-benzoyl)-4-ethyl-thiosemicarbazide

: 150536-01-9
[5-(4-Chloro-phenyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid

Guidance literature:: Multi-step reaction with 3 steps

1: 92 percent / aq. sodium hydroxide / 4 h / Heating

2: 52 percent / potassium carbonate / acetone / 10 h / Heating

3: 77 percent / aq. sodium hydroxide / 4 h / Heating

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