Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate

Base Information

• Chemical Name: Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate
• CAS No.: 6702-95-0
• Molecular Formula: C5H5ClN2O2S
• Molecular Weight: 192.62
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40377920
• Nikkaji Number: J1.205.055K
• Wikidata: Q82167311
• Mol file: 6702-95-0.mol

Synonyms:ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate;6702-95-0;ethyl 5-chlorothiadiazole-4-carboxylate;MFCD06245126;ETHYL 5-CHLORO[1,2,3]THIADIAZOLE-4-CARBOXYLATE;5-chloro-1,2,3-thiadiazole-4-carboxylic acid ethyl ester;SCHEMBL9296047;DTXSID40377920;1,2,3-Thiadiazole-4-carboxylic acid, 5-chloro-, ethyl ester;AKOS005220467;AB23563;CS-W006470;AM806085;SY036109;FT-0702898;A867344

Chemical Property of Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate

Chemical Property:

• Melting Point: 25 °C
• Boiling Point: 70 °C(Press: 0.05 Torr)
• PKA: -5.93±0.10(Predicted)
• PSA: 80.32000
• Density: 1.462±0.06 g/cm3(Predicted)
• LogP: 1.36820
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 191.9760263
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

97% ^*data from raw suppliers

Ethyl5-Chloro-1,2,3-thiadiazole-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(SN=N1)Cl
• Uses: Ethyl 5-Chloro-1,2,3-thiadiazole-4-carboxylate is used in preparation of derivatives useful as antiviral agents and fungicides.

Technology Process of Ethyl 5-chloro-1,2,3-thiadiazole-4-carboxylate

There total 4 articles about Ethyl 5-chloro-1,2,3-thiadiazole-4-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:

diazoacetic acid ethyl ester (623-73-4) + thiophosgene (463-71-8) → ethyl 5‐chloro‐1,2,3‐thiadiazole‐4‐carboxylate (6702-95-0) + 5-chloro-1,3,4-thiadiazole-2-carboxylic acid ethyl ester (64837-49-6)

Guidance literature:

In acetonitrile;

Reference yield:

5-phenoxycarbonylamino-[1,2,3]thiadiazole-4-carboxylic acid ethyl ester (2037-81-2) → ethyl 5‐chloro‐1,2,3‐thiadiazole‐4‐carboxylate (6702-95-0)

Guidance literature:

Multi-step reaction with 2 steps

1: MgO / acetone; H₂O / Heating

2: NaNO₂, aq. HCl

With hydrogenchloride; magnesium oxide; sodium nitrite; In water; acetone;

Reference yield:

ethyl 5-amino-1,2,3-thiadiazole-4-carboxylate (6440-02-4) → ethyl 5‐chloro‐1,2,3‐thiadiazole‐4‐carboxylate (6702-95-0)

Guidance literature:

With hydrogenchloride; sodium nitrite;

upstream raw materials:

diazoacetic acid ethyl ester

thiophosgene

ethyl 5-amino-1,2,3-thiadiazole-4-carboxylate

4-carbethoxy-5-N-nitrosoamino-1,2,3-thiadiazole

Downstream raw materials:

ethyl 5-amino-1,2,3-thiadiazole-4-carboxylate

5-chloro-1,2,3-thiadiazole-4-carboxamide

1-amino-4-ethoxycarbonyl-1,2,3-triazole-5-thiol (hydrazinium salt)

hydrazinium salt of 1-amino-4-ethoxycarbonyl-1H-1,2,3-triazole-5-thiol

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