4-Methoxy-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide

Base Information

Chemical Name:4-Methoxy-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide
CAS No.:189452-07-1
Molecular Formula:C₁₄H₁₉N₃O₂S
Molecular Weight:293.39
Hs Code.:
DSSTox Substance ID:DTXSID60360051
ChEMBL ID:CHEMBL1430453
Mol file:189452-07-1.mol

Synonyms:189452-07-1;4-Methoxy-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide;AN-329/40202919;N-(4-methoxybenzoyl)-4-methylpiperazine-1-carboximidothioic acid;4-methoxy-N-(4-methylpiperazine-1-carbothioyl)benzamide;4-Methoxy-N-[(4-methyl-1-piperazinyl)carbonothioyl]benzamide;Oprea1_520606;MLS001240069;CHEMBL1430453;DTXSID60360051;STL063081;AKOS000497758;SMR000673375;SR-01000213864;SR-01000213864-1;4-Methoxy-N-(4-methyl-piperazin-1-carbothioyl)benzamide;4-Methoxy-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide #;4-methoxy-N-[(4-methylpiperazin-1-yl)carbonothioyl]benzamide;4-METHOXY-N~1~-[(4-METHYLPIPERAZINO)CARBOTHIOYL]BENZAMIDE

Suppliers and Price of 4-Methoxy-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide

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

Aronis compounds
4-methoxy-N-[(4-methyl-1-piperazinyl)carbonothioyl]benzamide
5mg
$ 15.00

Total 1 raw suppliers

Chemical Property of 4-Methoxy-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide

Chemical Property:

PKA:10.79±0.70(Predicted)
PSA：80.39000
Density:1.222±0.06 g/cm3(Predicted)
LogP:1.40790
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:293.11979803
Heavy Atom Count:20
Complexity:348

Purity/Quality:: 4-methoxy-N-[(4-methyl-1-piperazinyl)carbonothioyl]benzamide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCN(CC1)C(=S)NC(=O)C2=CC=C(C=C2)OC

Technology Process of 4-Methoxy-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide

There total 1 articles about 4-Methoxy-N-[(4-methyl-1-piperazinyl)carbothioyl]benzamide 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:

: 109-01-3
1-methyl-piperazine

: 333-20-0
potassium thioacyanate

: 100-07-2
4-methoxy-benzoyl chloride

: 189452-07-1
4-[N-(4-methoxybenzoyl)(thiocarbamoyl)]-4-methylpiperazine

Guidance literature:: Yield given. Multistep reaction; 1.) MeCN, reflux, 2 h, 2.) MeCN, 30 min;
DOI:10.1021/jo970072h

Reference yield:

: 189452-07-1
4-[N-(4-methoxybenzoyl)(thiocarbamoyl)]-4-methylpiperazine

: methyl 2-(4-methoxyphenyl)-5-(1-methylpiperazin-4-yl)imidazole-4-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) SCCl₂, 2.) Et₃N / 1.) acetone, 15 min, 2.) MeCN, 10 min

2: 73 percent / I₂, NEt₃ / ethyl acetate / 1 h / Ambient temperature

With thiophosgene; iodine; triethylamine; In ethyl acetate;
DOI:10.1021/jo970072h

Reference yield:

: 5680-79-5,883886-67-7
glycine ethyl ester hydrochloride

: 189452-07-1
4-[N-(4-methoxybenzoyl)(thiocarbamoyl)]-4-methylpiperazine

: 189452-58-2
4-methoxy-N-[(methoxycarbonyl)methyl]-N'-[(1-methylpiperazin-1-yl)(thiocarbonyl)]benzamidine

Guidance literature:: With thiophosgene; triethylamine; Yield given. Multistep reaction; 1.) acetone, 15 min, 2.) MeCN, 10 min;
DOI:10.1021/jo970072h