4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride

Base Information

• Chemical Name: 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride
• CAS No.: 59944-65-9
• Molecular Formula: C4H3ClN2OS
• Molecular Weight: 162.6
• Hs Code.: 2934999090
• European Community (EC) Number: 640-801-8
• DSSTox Substance ID: DTXSID60371743
• Wikidata: Q82159191
• Mol file: 59944-65-9.mol

Synonyms:4-methyl-1,2,3-thiadiazole-5-carbonyl chloride;59944-65-9;4-methylthiadiazole-5-carbonyl chloride;MFCD00173831;4-methyl-[1,2,3]thiadiazole-5-carbonyl chloride;SCHEMBL924685;4-methyl-1,2,3-thiadiazole-5-carboxylic acid chloride;DTXSID60371743;SDNDOCTUXWLDIX-UHFFFAOYSA-N;STK352931;AKOS005168338;SY109571;FT-0618979;5-Chlorocarbonyl-4-methyl-1,2,3-thiadiazole;EN300-231932;A832546;J-515685;F2190-0151;4-methyl-1,2,3-thiadiazole-5-carbonyl chloride, AldrichCPR

Chemical Property of 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.0391mmHg at 25°C
• Refractive Index: 1.578
• Boiling Point: 239.9 °C at 760 mmHg
• Flash Point: 98.9 °C
• PSA: 71.09000
• Density: 1.504g/cm³
• LogP: 1.22550
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 161.9654616
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

99%, ^*data from raw suppliers

4-Methyl-[1,2,3]thiadiazole-5-carbonylchloride 90%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: C:Corrosive
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SN=N1)C(=O)Cl

Technology Process of 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride

There total 1 articles about 4-Methyl-1,2,3-thiadiazole-5-carbonyl chloride 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: 95.0%

4-methyl-[1,2,3]thiadiazole-5-carboxylic acid (18212-21-0) → 4-methyl-[1,2,3]thiadiazole-5-carbonyl chloride (59944-65-9)

Guidance literature:

With thionyl chloride; for 4h; Heating;

DOI:10.1002/jps.2600700512

Reference yield: 90.0%

4-methyl-[1,2,3]thiadiazole-5-carbonyl chloride (59944-65-9) + 4-(4-chlorophenyl)-2-thiazolamine (2103-99-3) → (4-methyl-1,2,3-thiadiazole-5-carbonyl)-(4'-(4''-chlorophenyl)-1',3'-thiazole-2')-amine (941464-16-0)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1021/jf8031364

Reference yield: 87.0%

4-methyl-[1,2,3]thiadiazole-5-carbonyl chloride (59944-65-9) + 2-chloro-4-(trifluoromethyl)aniline (39885-50-2) → C11H7ClF3N3OS

Guidance literature:

With sodium hydride; In tetrahydrofuran; at 20 ℃; for 2h;

upstream raw materials:

4-methyl-[1,2,3]thiadiazole-5-carboxylic acid

Downstream raw materials:

(4-methyl-[1,2,3]thiadiazol-5-yl)-(1-phenyl-1H-imidazol-2-yl)-methanone

(4-methyl-1,2,3-thiadiazol-5-yl)(phenyl)methanone

(4-Bromo-phenyl)-(4-methyl-[1,2,3]thiadiazol-5-yl)-methanone

(4-Methoxy-phenyl)-(4-methyl-[1,2,3]thiadiazol-5-yl)-methanone

Refernces

Synthesis and antiviral activity of new acrylamide derivatives containing 1,2,3-thiadiazole as inhibitors of hepatitis B virus replication

10.1016/j.ejmech.2010.01.032

The study focuses on the synthesis and evaluation of a series of new acrylamide derivatives containing 1,2,3-thiadiazole for their potential antiviral activity against hepatitis B virus (HBV) replication. These compounds were designed based on the structure of known anti-HBV agents and synthesized through various chemical reactions. The in vitro anti-HBV activities were assessed by measuring the inhibition of HBV DNA replication, secretion of HBeAg, and HBsAg in 2.2.15 cells. The results showed that several compounds, particularly 9c, demonstrated higher inhibitory activity against HBV DNA replication compared to the positive control lamivudine. Additionally, compound 9d exhibited significant activity against the secretion of HBeAg. The study concludes that these acrylamide derivatives containing 1,2,3-thiadiazole could serve as promising candidates for the development of new anti-HBV drugs.

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