5-((4-Methoxyphenoxy)methyl)-1,3,4-thiadiazol-2-amine

Base Information

• Chemical Name: 5-((4-Methoxyphenoxy)methyl)-1,3,4-thiadiazol-2-amine
• CAS No.: 364360-13-4
• Molecular Formula: C10H11N3O2S
• Molecular Weight: 237.282
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10360203
• Nikkaji Number: J1.590.789D
• Wikidata: Q72438812
• Mol file: 364360-13-4.mol

Synonyms:364360-13-4;5-((4-Methoxyphenoxy)methyl)-1,3,4-thiadiazol-2-amine;5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2-amine;5-(4-Methoxy-phenoxymethyl)-[1,3,4]thiadiazol-2-ylamine;1,3,4-Thiadiazol-2-amine, 5-[(4-methoxyphenoxy)methyl]-;TimTec1_008207;Oprea1_487063;SCHEMBL3738440;DTXSID10360203;HMS1557F01;BBL029301;STK932022;STL225137;AKOS000626964;AKOS005663479;WAY-313570;VS-09181;CS-0332582;FT-0744963;SR-01000319930;SR-01000319930-1;5-[(4-methoxyphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-imine

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

Chemical Property:

• Melting Point: 130-133℃ (ethanol )
• Boiling Point: 449.4±51.0 °C(Predicted)
• PKA: 2.91±0.10(Predicted)
• PSA: 98.50000
• Density: 1.345±0.06 g/cm3(Predicted)
• LogP: 2.28910
• Storage Temp.: 2-8°C
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 237.05719778
• Heavy Atom Count: 16
• Complexity: 212

Purity/Quality:

98%min ^*data from raw suppliers

5-(4-Methoxy-phenoxymethyl)-[1,3,4]thiadiazol-2-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OCC2=NN=C(S2)N

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

There total 7 articles about 5-((4-Methoxyphenoxy)methyl)-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: 96.5%

4-methoxyphenyl acetate (1200-06-2) + thiosemicarbazide (79-19-6) → 2-amino-5-(4-methoxylphenoxymethyl)-1,3,4-thiadiazole (364360-13-4)

Guidance literature:

With silica gel; trichlorophosphate; at 20 ℃; for 0.166667h;

Reference yield: 74.0%

2-(4-methoxyphenoxy)acetic acid (1877-75-4) + thiosemicarbazide (79-19-6) → 2-amino-5-(4-methoxylphenoxymethyl)-1,3,4-thiadiazole (364360-13-4)

Guidance literature:

With poly(ethylene glycol) supported dichlorophosphate; at 120 ℃; for 0.133333h; microwave irradiation;

Reference yield: 55.0%

2-({[4-(methyloxy)phenyl]oxy}acetyl)hydrazinecarbothioamide (928710-47-8) → 2-amino-5-(4-methoxylphenoxymethyl)-1,3,4-thiadiazole (364360-13-4)

Guidance literature:

With phosphoric acid; at 120 ℃; for 2h;

DOI:10.1016/j.bmc.2010.11.034

upstream raw materials:

2-(4-methoxyphenoxy)acetic acid

thiosemicarbazide

2-({[4-(methyloxy)phenyl]oxy}acetyl)hydrazinecarbothioamide

ethyl (4-methoxyphenoxy)acetate

Downstream raw materials:

2-(5-(2-nitrophenyl)-2-furoylamido)-5-(4-methoxyphenyloxymethyl)-1,3,4-thiadiazole

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