N-(diethylcarbamothioyl)-3,4,5-trimethoxybenzamide

Base Information

• Chemical Name: N-(diethylcarbamothioyl)-3,4,5-trimethoxybenzamide
• CAS No.: 67716-01-2
• Molecular Formula: C15H22N2O4S
• Molecular Weight: 326.417
• DSSTox Substance ID: DTXSID30356800
• Nikkaji Number: J394.872B
• Wikidata: Q82136379
• ChEMBL ID: CHEMBL1405817

Synonyms:N-(diethylcarbamothioyl)-3,4,5-trimethoxybenzamide;67716-01-2;AN-329/41574027;MLS000672156;CHEMBL1405817;DTXSID30356800;N-[(diethylamino)carbonothioyl]-3,4,5-trimethoxybenzamide;HMS2662G10;STK122595;AKOS000495509;SMR000293327;SR-01000270143;N,N-diethyl-N'-(3,4,5-trimethoxybenzoyl)thiourea;SR-01000270143-1

Chemical Property of N-(diethylcarbamothioyl)-3,4,5-trimethoxybenzamide

Chemical Property:

• PSA: 95.61000
• LogP: 2.64370
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 326.13002836
• Heavy Atom Count: 22
• Complexity: 363

Purity/Quality:

99% ^*data from raw suppliers

N-[(diethylamino)carbonothioyl]-3,4,5-trimethoxybenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)C(=S)NC(=O)C1=CC(=C(C(=C1)OC)OC)OC

Technology Process of N-(diethylcarbamothioyl)-3,4,5-trimethoxybenzamide

There total 1 articles about N-(diethylcarbamothioyl)-3,4,5-trimethoxybenzamide 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:

→ N,N-diethyl-N′-(3,4,5-trimethoxybenzoyl)thiourea (67716-01-2)

Guidance literature:

Ammonium-thiocyanat, 1) 3,4,5-Trimethoxy-benzoesaeurechlorid, 2) Di-ethylamin;

Reference yield: 85.3%

potassium tetrachloropalladate(II) (10025-98-6) + N,N-diethyl-N′-(3,4,5-trimethoxybenzoyl)thiourea (67716-01-2) → cis-bis(N,N-diethyl-N′-(3,4,5-trimethoxybenzoyl)thioureato)palladium(II)

Guidance literature:

With sodium acetate; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1080/00958972.2014.974584

Reference yield: 85.0%

potassium tetrachloropalladate(II) (10025-98-6) + N,N-diethyl-N′-(3,4,5-trimethoxybenzoyl)thiourea (67716-01-2) → cis-bis(N,N-diethyl-N'-(3,4,5-trimethoxybenzoylthioureato))palladium(II) (849200-40-4,849207-93-8)

Guidance literature:

With sodium acetate; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1039/d1nj02320a

Downstream raw materials:

cis-bis(N,N-diethyl-N'-(3,4,5-trimethoxybenzoylthioureato))palladium(II)

cis-bis(N,N-diethyl-N'-(3,4,5-trimethoxybenzoylthioureato))platinum(II)

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