methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate

Base Information

Chemical Name:methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate
CAS No.:1454288-71-1
Molecular Formula:C₂₀H₁₅ClN₄O₄S₂
Molecular Weight:474.948
Hs Code.:
Mol file:1454288-71-1.mol

Synonyms:1454288-71-1;methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate;methyl 1-(2-chlorophenyl)-5-[5-(3-methylsulfonylphenyl)-1,3,4-thiadiazol-2-yl]pyrazole-3-carboxylate;SCHEMBL15229742;VXYKSPBRSKAHIE-UHFFFAOYSA-N;AMY20522;MFCD30730108;AS-35153;methyl1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate

Suppliers and Price of methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate

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

Crysdot
Methyl1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate 97%
100mg
$ 525.00

Total 2 raw suppliers

Chemical Property of methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate

Chemical Property:

Boiling Point:725.8±70.0 °C(Predicted)
PKA:-2.73±0.10(Predicted)
Density:1.52±0.1 g/cm3(Predicted)
XLogP3:3.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:474.0223250
Heavy Atom Count:31
Complexity:752

Purity/Quality:

98% ^*data from raw suppliers

Methyl1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=NN(C(=C1)C2=NN=C(S2)C3=CC(=CC=C3)S(=O)(=O)C)C4=CC=CC=C4Cl

Technology Process of methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate

There total 7 articles about methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate 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:

: 1454290-84-6
methyl 1-(2-chlorophenyl)-5-(2-(3-(methylsulfonyl)benzoyl)hydrazinecarbonyl)-1H-pyrazole-3-carboxylate

: 1454288-71-1
methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate

Guidance literature:: With Lawessons reagent; pyridine; In toluene; at 120 ℃; for 3h;

Reference yield:

: 1154390-60-9
methyl 1-(2-chlorophenyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxylate

: 1454288-71-1
methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1.1: sodium periodate; ruthenium trichloride; water / acetonitrile; tetrachloromethane / 72 h / 20 °C

2.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 0.25 h / 0 °C

2.2: 0.5 h / 0 °C

2.3: 0 - 20 °C

3.1: Lawessons reagent; pyridine / toluene / 3 h / 120 °C

With Lawessons reagent; pyridine; ruthenium trichloride; sodium periodate; water; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrachloromethane; N,N-dimethyl-formamide; toluene; acetonitrile;

Reference yield:

: 1454290-82-4
1-(2-chlorophenyl)-3-(methoxycarbonyl)-1H-pyrazole-5-carboxylic acid

: 1454288-71-1
methyl 1-(2-chlorophenyl)-5-(5-(3-(methylsulfonyl)phenyl)-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 0.25 h / 0 °C

1.2: 0.5 h / 0 °C

1.3: 0 - 20 °C

2.1: Lawessons reagent; pyridine / toluene / 3 h / 120 °C

With Lawessons reagent; pyridine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; toluene;