5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine

Base Information

Chemical Name:5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine
CAS No.:100988-16-7
Molecular Formula:C11H13N3OS
Molecular Weight:235.31
Hs Code.:
DSSTox Substance ID:DTXSID701327989
ChEMBL ID:CHEMBL1447390
Mol file:100988-16-7.mol

Synonyms:5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine;100988-16-7;5-[2-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine;5-(3-Methoxyphenethyl)-1,3,4-thiadiazol-2-amine;MLS001208674;CHEMBL1447390;DTXSID701327989;HMS2827D07;AKOS000300931;SMR000503244

Suppliers and Price of 5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:235.07793322
Heavy Atom Count:16
Complexity:217

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=CC(=C1)CCC2=NN=C(S2)N

Technology Process of 5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine

There total 1 articles about 5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine 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: 68.0%

: 1129-59-5
3-(3-methoxyphenyl)propanenitrile

: 79-19-6
thiosemicarbazide

: 100988-16-7
5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine

Guidance literature:: With trifluoroacetic acid; at 60 - 80 ℃; for 6h;
DOI:10.1248/cpb.40.357

Reference yield: 90.0%

: 15781-70-1
malonic acid bis-(2,4,6-trichloro-phenyl) ester

: 100988-16-7
5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine

: 141421-59-2
7-Hydroxy-2-[2-(3-methoxy-phenyl)-ethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Guidance literature:: With diphenyl ether-biphenyl eutectic; at 120 - 130 ℃; for 1h;
DOI:10.1248/cpb.40.357

Reference yield:

: 100988-16-7
5-[2-(3-Methoxy-phenyl)-ethyl]-[1,3,4]thiadiazol-2-ylamine

: 6,7-Diamino-2-[2-(3-methoxy-phenyl)-ethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Guidance literature:: Multi-step reaction with 5 steps

1: 90 percent / Dowtherm A / 1 h / 120 - 130 °C

2: 95.7 percent / conc. HNO₃ / acetic acid / 2 h / Ambient temperature

3: 1.) POCl₃, 2.) PhNEt₂ / 1.) 70 - 90 deg C, 2.) 70 - 90 deg C, 3 h

4: 88.2 percent / conc. aq. NH₄OH / dioxane / 0.25 h / 60 °C

5: tin, conc. aq. HCl / dioxane / Heating

With hydrogenchloride; ammonium hydroxide; tin; diphenyl ether-biphenyl eutectic; nitric acid; N,N-diethylaniline; trichlorophosphate; In 1,4-dioxane; acetic acid;
DOI:10.1248/cpb.40.357