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

Base Information

• Chemical Name: 5-(3-Methoxyphenyl)-1,3,4-thiadiazol-2-amine
• CAS No.: 247109-15-5
• Molecular Formula: C9H9N3OS
• Molecular Weight: 207.256
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40356114
• Wikidata: Q82135284
• Mol file: 247109-15-5.mol

Synonyms:5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine;247109-15-5;2-AMINO-5-(3-METHOXYPHENYL)-1,3,4-THIADIAZOLE;MFCD00628650;1,3,4-Thiadiazol-2-amine, 5-(3-methoxyphenyl)-;Oprea1_061951;Oprea1_170086;5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-ylamine;SCHEMBL6154686;DTXSID40356114;ANOZGAXEWJZHBU-UHFFFAOYSA-N;AMY27113;XJA10915;STK009154;AKOS000225070;DS-9885;BB 0259371;CS-0061987;FT-0720152;EN300-75276;A924851;AM-900/25025025;SR-01000313060;5-(3-methoxy phenyl)-1,3,4-thiadiazole-2-ylamine;5-(3-methoxyphenyl)-[1,3,4]thiadiazol-2-ylamine;SR-01000313060-1;Z332385292;5-(3-Methoxyphenyl)-1,3,4-thiadiazol-2-amine, AldrichCPR

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

Chemical Property:

• Boiling Point: 540.258oC at 760 mmHg
• PKA: 2.69±0.10(Predicted)
• Flash Point: 209.842oC
• PSA: 89.27000
• Density: 0.877g/cm3
• LogP: 2.37710
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 207.04663309
• Heavy Atom Count: 14
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC(=C1)C2=NN=C(S2)N

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

There total 6 articles about 5-(3-Methoxyphenyl)-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: 84.0%

thiosemicarbazide (79-19-6) + 3-Methoxybenzoic acid (586-38-9) → 5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine (247109-15-5)

Guidance literature:

thiosemicarbazide; 3-Methoxybenzoic acid; With trichlorophosphate; at 75 ℃; for 1h;

With water; at 20 ℃; for 4h; Reflux;

DOI:10.1007/s00044-011-9598-0

Reference yield: 69.0%

potassium thioacyanate (333-20-0) + 3-methoxy-benzaldehyde (591-31-1) → 5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine (247109-15-5)

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: 49.2%

→ 5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine (247109-15-5)

Guidance literature:

With trifluoroacetic acid; at 70 ℃; for 8h;

upstream raw materials:

(E)-1-(3-methoxybenzylidene)thiosemicarbazide

thiosemicarbazide

3-Methoxybenzoic acid

3-methoxy-benzaldehyde

Downstream raw materials:

2-Chloro-5-(3-methoxy-phenyl)-[1,3,4]thiadiazole

[5-(3-Methoxy-phenyl)-[1,3,4]thiadiazol-2-yl]-hydrazine; hydrochloride

C₁₅H₁₂FN₅O₄S

2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(5-3-methoxyphenyl-1,3,4-thiadiazol-2-yl)acetamide