5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

Base Information

Chemical Name:5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CAS No.:123216-99-9
Molecular Formula:C11H13N3OS
Molecular Weight:235.30500
Hs Code.:2934999090
DSSTox Substance ID:DTXSID10350664
Wikidata:Q82126722
ChEMBL ID:CHEMBL1483340
Mol file:123216-99-9.mol

Synonyms:123216-99-9;5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine;5-((3,4-DIMETHYLPHENOXY)METHYL)-1,3,4-THIADIAZOL-2-AMINE;Oprea1_224893;Oprea1_640893;MLS000780242;SCHEMBL3734938;CHEMBL1483340;DTXSID10350664;HMS2797N18;YEA21699;MFCD01346794;STK050224;AKOS001619413;BS-35644;SMR000420425;CS-0318685;FT-0751795;AG-205/12229417;SR-01000436280;SR-01000436280-1;5-(3,4-Dimethyl-phenoxymethyl)-[1,3,4]thiadiazol-2-ylamine

Suppliers and Price of 5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

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

TRC
5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
100mg
$ 75.00

Crysdot
5-((3,4-Dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-amine 95+%
1g
$ 316.00

ChemBridge Corporation
5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine 95%
1 g
$ 46.00

Alichem
5-((3,4-Dimethylphenoxy)methyl)-1,3,4-thiadiazol-2-amine
1g
$ 324.50

AK Scientific
5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
1g
$ 811.00

AK Scientific
5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
250mg
$ 357.00

Total 6 raw suppliers

Chemical Property of 5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

Chemical Property:

Vapor Pressure:5.22E-08mmHg at 25°C
Boiling Point:442oC at 760 mmHg
Flash Point:221.1oC
PSA：90.00000
Density:1.272g/cm3
LogP:2.24620
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:235.07793322
Heavy Atom Count:16
Complexity:229

Purity/Quality:

98%min ^*data from raw suppliers

5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)OCC2=NN=C(S2)N)C

Technology Process of 5-[(3,4-Dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-amine

There total 4 articles about 5-[(3,4-Dimethylphenoxy)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:

: 13335-73-4
(3,4-dimethylphenoxy)acetic acid

: 79-19-6
thiosemicarbazide

: 123216-99-9
5-{[(3,4-dimethylphenyl)oxy]methyl}-1,3,4-thiadiazol-2-amine

Guidance literature:: In trichlorophosphate; for 4h; Reflux;
DOI:10.1002/bkcs.10475

Reference yield:

: 192634-75-6
ethyl [(3,4-dimethylphenyl)oxy]acetate

: 123216-99-9
5-{[(3,4-dimethylphenyl)oxy]methyl}-1,3,4-thiadiazol-2-amine

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide / methanol / 1 h / 20 °C

2: trichlorophosphate / 4 h / Reflux

With sodium hydroxide; In methanol; trichlorophosphate;
DOI:10.1002/bkcs.10475

Reference yield:

: 95-65-8
3,4-Dimethylphenol

: 123216-99-9
5-{[(3,4-dimethylphenyl)oxy]methyl}-1,3,4-thiadiazol-2-amine

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 2 h / 100 °C

2: sodium hydroxide / methanol / 1 h / 20 °C

3: trichlorophosphate / 4 h / Reflux

With potassium carbonate; sodium hydroxide; In methanol; N,N-dimethyl-formamide; trichlorophosphate;
DOI:10.1002/bkcs.10475