Methyl 4-(5-amino-1,3,4-thiadiazol-2-YL)benzoate

Base Information

Chemical Name:Methyl 4-(5-amino-1,3,4-thiadiazol-2-YL)benzoate
CAS No.:51542-42-8
Molecular Formula:C₁₀H₉N₃O₂S
Molecular Weight:235.266
Hs Code.:
DSSTox Substance ID:DTXSID60589669
Wikidata:Q82483171
Mol file:51542-42-8.mol

Synonyms:METHYL 4-(5-AMINO-1,3,4-THIADIAZOL-2-YL)BENZOATE;51542-42-8;SCHEMBL360517;DTXSID60589669;MFCD13873762;AKOS027254628;AS-38908;DB-187968;CS-0361850;A934317;METHYL4-(5-AMINO-1,3,4-THIADIAZOL-2-YL)BENZOATE

Suppliers and Price of Methyl 4-(5-amino-1,3,4-thiadiazol-2-YL)benzoate

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
Methyl4-(5-amino-1,3,4-thiadiazol-2-yl)benzoate 95+%
1g
$ 516.00

Alichem
Methyl4-(5-amino-1,3,4-thiadiazol-2-yl)benzoate
5g
$ 1492.78

Alichem
Methyl4-(5-amino-1,3,4-thiadiazol-2-yl)benzoate
1g
$ 488.07

Total 3 raw suppliers

Chemical Property of Methyl 4-(5-amino-1,3,4-thiadiazol-2-YL)benzoate

Chemical Property:

Boiling Point:427.1±47.0 °C(Predicted)
PKA:2.18±0.10(Predicted)
Density:1.377±0.06 g/cm3(Predicted)
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:235.04154771
Heavy Atom Count:16
Complexity:256

Purity/Quality:

99% ^*data from raw suppliers

Methyl4-(5-amino-1,3,4-thiadiazol-2-yl)benzoate 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=C(C=C1)C2=NN=C(S2)N

Technology Process of Methyl 4-(5-amino-1,3,4-thiadiazol-2-YL)benzoate

There total 4 articles about Methyl 4-(5-amino-1,3,4-thiadiazol-2-YL)benzoate 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:

: C₁₀H₁₁N₃O₂S

: 51542-42-8
methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoate

Guidance literature:: C₁₀H₁₁N₃O₂S; With iron(III) chloride hexahydrate; silica gel; In methanol;

at 70 ℃; for 0.5h;
DOI:10.1002/asia.201800682

Reference yield:

: 1571-08-0
methyl 4-formylbenzoate

: 51542-42-8
methyl 4-(5-amino-1,3,4-thiadiazol-2-yl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: ethanol; water / 2 h

1.2: 0.5 h / 75 °C

2.1: pyridine / 0.5 h / 20 °C

With pyridine; In ethanol; water;
DOI:10.1021/jm2015167