2,5-Dibromo-1,3,4-thiadiazole

Base Information

• Chemical Name: 2,5-Dibromo-1,3,4-thiadiazole
• CAS No.: 55981-29-8
• Molecular Formula: C2Br2N2S
• Molecular Weight: 243.909
• Hs Code.: 2934999090
• European Community (EC) Number: 692-177-1
• DSSTox Substance ID: DTXSID50389099
• Nikkaji Number: J2.156.109F
• Wikidata: Q82184529
• Mol file: 55981-29-8.mol

Synonyms:2,5-dibromo-1,3,4-thiadiazole;55981-29-8;dibromo-1,3,4-thiadiazole;1,3,4-Thiadiazole, 2,5-dibromo-;MFCD00466397;C2Br2N2S;BAS 00134417;SCHEMBL1110667;DTXSID50389099;MNHUBBRVPVSVCM-UHFFFAOYSA-N;AKOS000525847;AB92977;CS-W021516;NF-0010;SY108871;FT-0684583;EN300-81753;A855397;AG-668/02819051;J-507288;Z56871608

Chemical Property of 2,5-Dibromo-1,3,4-thiadiazole

Chemical Property:

• Boiling Point: 289.418 °C at 760 mmHg
• PKA: -2.77±0.10(Predicted)
• Flash Point: 128.836 °C
• PSA: 54.02000
• Density: 2.496 g/cm³
• LogP: 2.06310
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 243.81284
• Heavy Atom Count: 7
• Complexity: 62.7

Purity/Quality:

98%min ^*data from raw suppliers

2,5-Dibromo-1,3,4-thiadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NN=C(S1)Br)Br

Technology Process of 2,5-Dibromo-1,3,4-thiadiazole

There total 5 articles about 2,5-Dibromo-1,3,4-thiadiazole 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: 80.0%

5-bromo-2-amino-1,3,4-thiadiazole (37566-39-5) → 2,5-dibromo-1,3,4-thiadiazole (55981-29-8)

Guidance literature:

With 2-Methyl-2-nitropropane; copper(ll) bromide;

DOI:10.1016/j.bmcl.2010.11.065

Reference yield:

2,5-diamino-1,3,4-thiadiazole (2937-81-7) → 2,5-dibromo-1,3,4-thiadiazole (55981-29-8)

Guidance literature:

With copper(ll) bromide; isopentyl nitrite; In acetonitrile; at 0 - 20 ℃; for 10h;

Reference yield:

[1,3,4]Thiadiazol-2-ylamin (4005-51-0) → 2,5-dibromo-1,3,4-thiadiazole (55981-29-8)

Guidance literature:

With sodium hydroxide; bromine; magnesium sulfate; sodium nitrite; In ethanol; water; hydrogen bromide;

upstream raw materials:

5-bromo-2-amino-1,3,4-thiadiazole

[1,3,4]Thiadiazol-2-ylamin

2,5-diamino-1,3,4-thiadiazole

Downstream raw materials:

2,5-bis-phenylsulfanyl-[1,3,4]thiadiazole

tert-butyl 4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazine-1-carboxylate

2-bromo-5-phenoxy-1,3,4-thiadiazole

2-bromo-5-(4-methoxyphenoxy)-1,3,4-thiadiazole

Refernces

• 1、 Rao, Ashwin U.,Shao, Ning,Aslanian, Robert G.,Chan, Tin-Yau,Degrado, Sylvia J.,Wang, Li,McKittrick, Brian,Senior, Mary,West, Robert E.,Williams, Shirley M.,Wu, Ren-Long,Hwa, Joyce,Patel, Bhuneshwari,Zheng, Shuqin,Sondey, Christopher,Palani, Anandan. "Discovery of a potent thiadiazole class of histamine H3 receptor antagonist for the treatment of diabetes". supporting information; experimental part. p. 198 - 202. Retrieved 2012/04/23.
• 2、 -. "PYRROLIDINE, PIPERIDINE AND PIPERAZINE DERIVATIVES AND METHODS OF USE THEREOF". Page/Page column 97. . Retrieved 2010/04/30.