Methyl 4-{2-[(diaminomethylidene)amino]-4-methyl-1,3-thiazol-5-yl}benzoate

Base Information

Chemical Name:Methyl 4-{2-[(diaminomethylidene)amino]-4-methyl-1,3-thiazol-5-yl}benzoate
CAS No.:232595-03-8
Molecular Formula:C13H14N4O2S
Molecular Weight:290.346
Hs Code.:
DSSTox Substance ID:DTXSID10592789
Mol file:232595-03-8.mol

Synonyms:232595-03-8;SCHEMBL3600169;DTXSID10592789;DOLUSFMSYUAOIM-UHFFFAOYSA-N;Methyl 4-{2-[(diaminomethylidene)amino]-4-methyl-1,3-thiazol-5-yl}benzoate;Methyl 4-(2-{[amino(imino)methyl]amino}-4-methyl-1,3-thiazol-5-yl)benzoate

Suppliers and Price of Methyl 4-{2-[(diaminomethylidene)amino]-4-methyl-1,3-thiazol-5-yl}benzoate

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

American Custom Chemicals Corporation
METHYL-4-(2-([AMINO(IMINO)METHYL]AMINO)-4-METHYL-1,3-THIAZOL-5-YL)BENZOATE 95.00%
5MG
$ 499.72

Total 2 raw suppliers

Chemical Property of Methyl 4-{2-[(diaminomethylidene)amino]-4-methyl-1,3-thiazol-5-yl}benzoate

Chemical Property:

PSA：129.33000
LogP:3.08350
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:290.08374688
Heavy Atom Count:20
Complexity:379

Purity/Quality:

99% ^*data from raw suppliers

METHYL-4-(2-([AMINO(IMINO)METHYL]AMINO)-4-METHYL-1,3-THIAZOL-5-YL)BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(SC(=N1)N=C(N)N)C2=CC=C(C=C2)C(=O)OC

Technology Process of Methyl 4-{2-[(diaminomethylidene)amino]-4-methyl-1,3-thiazol-5-yl}benzoate

There total 3 articles about Methyl 4-{2-[(diaminomethylidene)amino]-4-methyl-1,3-thiazol-5-yl}benzoate 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%

: 952751-35-8
methyl 4-(3-methyl-3-nitrooxiran-2-yl)benzoate

: 2114-02-5
amidinothiocarbamide

: 232595-03-8
methyl 4-(2-{[amino(imino)methyl]amino}-4-methyl-1,3-thiazol-5-yl)benzoate

Guidance literature:: In ethanol; for 14h; Heating / reflux;

Reference yield:

: 1571-08-0
methyl 4-formylbenzoate

: 232595-03-8
methyl 4-(2-{[amino(imino)methyl]amino}-4-methyl-1,3-thiazol-5-yl)benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: ammonium acetate; acetic acid / 2 h / Heating / reflux

2: sodium hydroxide; dihydrogen peroxide / methanol / 3.5 h / 20 °C

3: ethanol / 14 h / Heating / reflux

With sodium hydroxide; ammonium acetate; dihydrogen peroxide; acetic acid; In methanol; ethanol;

Reference yield:

: 232595-00-5
methyl (E)-4-(2-nitroprop-1-en-1-yl)benzoate

: 232595-03-8
methyl 4-(2-{[amino(imino)methyl]amino}-4-methyl-1,3-thiazol-5-yl)benzoate

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hydroxide; dihydrogen peroxide / methanol / 3.5 h / 20 °C

2: ethanol / 14 h / Heating / reflux

With sodium hydroxide; dihydrogen peroxide; In methanol; ethanol;