N-(1,1-Dimethylethyl)-N'-[[(4-methylphenyl)sulfonyl]methyl]thiourea

Base Information

Chemical Name:N-(1,1-Dimethylethyl)-N'-[[(4-methylphenyl)sulfonyl]methyl]thiourea
CAS No.:76758-03-7
Molecular Formula:C₁₃H₂₀N₂O₂S₂
Molecular Weight:300.446
Hs Code.:
DSSTox Substance ID:DTXSID501161636

Synonyms:DTXSID501161636;N-(1,1-Dimethylethyl)-N'-[[(4-methylphenyl)sulfonyl]methyl]thiourea;76758-03-7

Suppliers and Price of N-(1,1-Dimethylethyl)-N'-[[(4-methylphenyl)sulfonyl]methyl]thiourea

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of N-(1,1-Dimethylethyl)-N'-[[(4-methylphenyl)sulfonyl]methyl]thiourea

Chemical Property:

XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:300.09662023
Heavy Atom Count:19
Complexity:399

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)CNC(=S)NC(C)(C)C

Technology Process of N-(1,1-Dimethylethyl)-N'-[[(4-methylphenyl)sulfonyl]methyl]thiourea

There total 1 articles about N-(1,1-Dimethylethyl)-N'-[[(4-methylphenyl)sulfonyl]methyl]thiourea 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: 91.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 7204-48-0
N-(t-butyl)thiourea

: 824-79-3
sodium 4-methylbenzenesulfinate

: 76758-03-7
N-(tosylmethyl)-N'-tert-butylthiourea

Guidance literature:: With formic acid; In water; at 50 ℃; for 4h; pH 2-3;
DOI:10.1021/jo00323a018

Reference yield: 85.0%

: 76758-03-7
N-(tosylmethyl)-N'-tert-butylthiourea

: 76757-97-6
N-(tosylmethyl)-N'-tert-butylcarbodiimide

Guidance literature:: With mercury(II) oxide; In dichloromethane; for 0.666667h; Heating;
DOI:10.1021/jo00323a018

Reference yield:

: 76758-03-7
N-(tosylmethyl)-N'-tert-butylthiourea

: 76758-14-0
tert-Butyl-[5-(4-chloro-phenyl)-oxazol-2-yl]-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 85 percent / yellow HgO / CH₂Cl₂ / 0.67 h / Heating

2: 64 percent / 50percent aq. NaOH, n-Bu₄NBr / CH₂Cl₂ / 1 h / Ambient temperature

With sodium hydroxide; tetrabutylammomium bromide; mercury(II) oxide; In dichloromethane;
DOI:10.1021/jo00323a018