5-(3-Bromophenyl)-1,3,4-thiadiazol-2-amine

Base Information

• Chemical Name: 5-(3-Bromophenyl)-1,3,4-thiadiazol-2-amine
• CAS No.: 108656-65-1
• Molecular Formula: C₈H₆BrN₃S
• Molecular Weight: 256.126
• DSSTox Substance ID: DTXSID201267639
• ChEMBL ID: CHEMBL4214650
• Mol file: 108656-65-1.mol

Synonyms:5-(3-bromophenyl)-1,3,4-thiadiazol-2-amine;108656-65-1;MFCD01590338;1,3,4-Thiadiazol-2-amine, 5-(3-bromophenyl)-;SCHEMBL368725;CHEMBL4214650;DTXSID201267639;BBL007664;STK009657;AKOS000224932;AS-38718;SY192046;EN300-74416;2-Amino-5-(3-bromophenyl)-1,3,4-thiadiazole

Chemical Property of 5-(3-Bromophenyl)-1,3,4-thiadiazol-2-amine

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.94658
• Heavy Atom Count: 13
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

5-(3-Bromophenyl)-1,3,4-thiadiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)C2=NN=C(S2)N

Technology Process of 5-(3-Bromophenyl)-1,3,4-thiadiazol-2-amine

There total 6 articles about 5-(3-Bromophenyl)-1,3,4-thiadiazol-2-amine 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: 89.0%

m-bromobenzoic acid (585-76-2) + thiosemicarbazide (79-19-6) → 2-Amino-5-( 3-bromophenyl)-1,3,4-thiadiazole (108656-65-1)

Guidance literature:

m-bromobenzoic acid; thiosemicarbazide; With trichlorophosphate; at 75 ℃; for 0.5h;

With water; for 4h; Reflux;

DOI:10.1016/j.bmc.2014.09.039

Reference yield: 64.0%

m-bromobenzoic aldehyde (3132-99-8) + potassium thioacyanate (333-20-0) → 2-Amino-5-( 3-bromophenyl)-1,3,4-thiadiazole (108656-65-1)

Guidance literature:

With iodine; toluene-4-sulfonic acid hydrazide; In dimethyl sulfoxide; at 100 ℃; for 12h; Sealed tube;

DOI:10.1002/ejoc.201901250

Reference yield: 39.9%

m-bromobenzoic aldehyde (3132-99-8) + thiosemicarbazide (79-19-6) → 2-Amino-5-( 3-bromophenyl)-1,3,4-thiadiazole (108656-65-1)

Guidance literature:

In ethanol; water;

upstream raw materials:

m-bromobenzoic acid

thiosemicarbazide

m-bromobenzoic aldehyde

3'-bromobenzaldehyde-thiosemicarbazone

Downstream raw materials:

2-Chloro-5-(3-bromophenyl)-1,3,4-thiadiazole

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