3-Anilino-2-cyano-3-sulfanylprop-2-enamide

Base Information

• Chemical Name: 3-Anilino-2-cyano-3-sulfanylprop-2-enamide
• CAS No.: 380186-84-5
• Molecular Formula: C10H9 N3 O S
• Molecular Weight: 219.267
• DSSTox Substance ID: DTXSID20409233
• Mol file: 380186-84-5.mol

Synonyms:3-anilino-2-cyano-3-sulfanylprop-2-enamide;380186-84-5;DTXSID20409233;FT-0737772

Chemical Property of 3-Anilino-2-cyano-3-sulfanylprop-2-enamide

Chemical Property:

• PSA: 118.70000
• LogP: 2.47148
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 219.04663309
• Heavy Atom Count: 15
• Complexity: 323

Purity/Quality:

3-ANILINO-2-CYANO-3-MERCAPTOACRYLAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=C(C#N)C(=O)N)S

Technology Process of 3-Anilino-2-cyano-3-sulfanylprop-2-enamide

There total 1 articles about 3-Anilino-2-cyano-3-sulfanylprop-2-enamide 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:

phenyl isothiocyanate (103-72-0) + cyanoacetic acid amide (107-91-5) → 2-cyano-3-mercapto-3-(phenylamino)acrylamide (380186-84-5)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1002/cjoc.201100067

Reference yield: 87.0%

2-cyano-3-mercapto-3-(phenylamino)acrylamide (380186-84-5) + 4-[3-(4-formyl-2-methoxyphenoxy)propoxy]-3-methoxybenzaldehyde (101913-37-5) → 2,2'-((propane-1,3-diylbis(oxy))bis(3-methoxy-4,1-phenylene))bis(4-oxo-6-(phenylamino)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; for 2.5h; Reflux;

DOI:10.1002/jhet.3212

Reference yield: 86.0%

2-cyano-3-mercapto-3-(phenylamino)acrylamide (380186-84-5) + 4,4′-[ethane-1,2-diylbis(oxy)]bis(3-methoxy-benzaldehyde) (5784-66-7) → 2,2'-((ethane-1,2-diylbis(oxy))bis(3-methoxy-4,1-phenylene))bis(4-oxo-6-(phenylamino)-3,4-dihydro-2H-1,3-thiazine-5-carbonitrile)

Guidance literature:

With toluene-4-sulfonic acid; In ethanol; for 2.5h; Reflux;

DOI:10.1002/jhet.3212

upstream raw materials:

phenyl isothiocyanate

cyanoacetic acid amide

Downstream raw materials:

2,2'-(1,4-phenylene)-bis(5-cyano-6-ethylthio-1-phenyl-1,2,3,4-tetrahydro-pyrimidin-4-one)

2,2'-(1,4-phenylene)bis(6-benzylthio-5-cyano-1-phenyl-1,2,3,4-tetrahydropyrimidin-4-one)

2,2'-(1,4-phenylene)bis(5-amino-1,6-diphenylthieno[2,3-d]pyrimidin-4(1H)-one)

2,2'-(1,4-phenylene)bis(5-amino-6-ethoxycarbonyl-1-phenyl-2,3-dihydro-thieno[2,3-d]pyrimidin-4(1H)-one)

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