1-(3-benzoylthioureido)-1H-pyrrole-2-carboxamide

Base Information

Chemical Name:1-(3-benzoylthioureido)-1H-pyrrole-2-carboxamide
CAS No.:159326-73-5
Molecular Formula:C₁₃H₁₂N₄O₂S
Molecular Weight:288.33
Hs Code.:
DSSTox Substance ID:DTXSID601178874

Synonyms:SCHEMBL2060081;FDMGRRQKSQYFLV-UHFFFAOYSA-N;DTXSID601178874;1-(3-benzoylthioureido)-1H-pyrrole-2-carboxamide;1-[[(Benzoylamino)thioxomethyl]amino]-1H-pyrrole-2-carboxamide;159326-73-5

Suppliers and Price of 1-(3-benzoylthioureido)-1H-pyrrole-2-carboxamide

Supply Marketing:

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

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Chemical Property of 1-(3-benzoylthioureido)-1H-pyrrole-2-carboxamide

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:288.06809681
Heavy Atom Count:20
Complexity:396

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)NC(=S)NN2C=CC=C2C(=O)N

Technology Process of 1-(3-benzoylthioureido)-1H-pyrrole-2-carboxamide

There total 4 articles about 1-(3-benzoylthioureido)-1H-pyrrole-2-carboxamide 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: 96.0%

: 532-55-8
Benzoyl isothiocyanate

: 159326-69-9
1-aminopyrrole-2-carboxamide

: 159326-73-5
1-<amino>pyrrole-2-carboxamide

Guidance literature:: In acetone; at 20 ℃; for 1h;

Reference yield:

: 1003-29-8,254729-95-8
2-pyrrole aldehyde

: 159326-73-5
1-<amino>pyrrole-2-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) aq. hydroxylamine-O-sulfonic acid, 2.) aq. KOH / 1.) 1 h, 2.) 0-5 deg C, 3.5 h

2: 60 percent / aq. KOH / 6.5 h / Ambient temperature

3: 89 percent / acetone / 0.75 h / Ambient temperature

With potassium hydroxide; hydroxylamine-O-sulfonic acid; In acetone;
DOI:10.1002/jhet.5570310415

Reference yield:

: 159326-66-6
N-amino-1H-pyrrole-2-carbonitrile

: 159326-73-5
1-<amino>pyrrole-2-carboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: 60 percent / aq. KOH / 6.5 h / Ambient temperature

2: 89 percent / acetone / 0.75 h / Ambient temperature

With potassium hydroxide; In acetone;
DOI:10.1002/jhet.5570310415