N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenyl)acetamide

Base Information

• Chemical Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenyl)acetamide
• CAS No.: 5719-24-4
• Molecular Formula: C12H10 N2 O S
• Molecular Weight: 355.4771
• DSSTox Substance ID: DTXSID90410710
• Wikidata: Q82216955
• Mol file: 5719-24-4.mol

Synonyms:DTXSID90410710;AKOS033963343;N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenyl)acetamide;AB00747488-01;Z26408018

Chemical Property of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenyl)acetamide

Chemical Property:

• PSA: 111.91000
• Density: 1.32g/cm³
• LogP: 5.14780
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 355.08130452
• Heavy Atom Count: 24
• Complexity: 396

Purity/Quality:

2-Phenyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=NN=C(S1)NC(=O)CC2=CC=C(C=C2)C3=CC=CC=C3

Technology Process of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenyl)acetamide

There total 3 articles about N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-phenylphenyl)acetamide 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:

methyl 4-oxotetrahydrothiophene-3-carboxylate (2689-68-1,99328-39-9) + benzamidine monohydrochloride (1670-14-0) → 2-phenyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-ol (5719-24-4)

Guidance literature:

With sodium methylate; In methanol; at 20 - 65 ℃; for 22h;

DOI:10.1016/j.bmcl.2013.03.104

Reference yield:

methyl 4-oxotetrahydrothiophene-3-carboxylate (2689-68-1,99328-39-9) + benzamidine monohydrochloride (1670-14-0) → 2-phenyl-3H-5,7-dihydrothieno<3,4-d>pyrimidin-4-one (5719-24-4)

Guidance literature:

With sodium ethanolate; Yield given. Multistep reaction; 1.) ethanol, RT, 1 h, 2.) EtOH, reflux, 4 h;

DOI:10.1016/0040-4020(95)01008-4

Reference yield:

→ 2-phenyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-ol (5719-24-4)

Guidance literature:

/BRN= 131521/, Ph-C(NH2)=NH;

upstream raw materials:

methyl 4-oxotetrahydrothiophene-3-carboxylate

benzamidine monohydrochloride

Downstream raw materials:

2-[1-(6,6-dioxo-2-phenyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)-4-piperidyl]acetic acid

2-[4-(6,6-dioxo-2-phenyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)piperazin-1-yl]acetic acid

2-[4-[(6,6-dioxo-2-phenyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)amino]-1-piperidyl]acetic acid

2-[3-[(6,6-dioxo-2-phenyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)amino]phenyl]acetic acid