(3-Benzyl-1,3-thiazolidin-2-ylidene)cyanamide

Base Information

• Chemical Name: (3-Benzyl-1,3-thiazolidin-2-ylidene)cyanamide
• CAS No.: 94777-00-1
• Molecular Formula: C11H11N3S
• Molecular Weight: 217.294
• DSSTox Substance ID: DTXSID80558751
• Nikkaji Number: J326.055K
• Mol file: 94777-00-1.mol

Synonyms:94777-00-1;(3-Benzyl-1,3-thiazolidin-2-ylidene)cyanamide;SCHEMBL9818810;SCHEMBL9818814;SCHEMBL25003079;3-benzyl-2-cyanoiminothiazolidine;DTXSID80558751;3-benzyl-2-cyanimino-thiazolidine;GGMDHDPZNBJHPO-UHFFFAOYSA-N;3-benzylthiazolidin-2-ylidene-cyanamide

Chemical Property of (3-Benzyl-1,3-thiazolidin-2-ylidene)cyanamide

Chemical Property:

• Melting Point: 102-104 °C
• Boiling Point: 362.3±35.0 °C(Predicted)
• PSA: 64.69000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 2.01038
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 217.06736854
• Heavy Atom Count: 15
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=NC#N)N1CC2=CC=CC=C2

Technology Process of (3-Benzyl-1,3-thiazolidin-2-ylidene)cyanamide

There total 3 articles about (3-Benzyl-1,3-thiazolidin-2-ylidene)cyanamide 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: 78.2%

benzyl bromide (100-39-0) + 2-(N-cyanoimino)thiazolidine (26364-65-8) → 3-benzylthiazolidin-2-ylidenecyanamide (94777-00-1)

Guidance literature:

With sodium hydroxide; In water; acetonitrile; at 20 ℃; for 8h;

DOI:10.1007/s10870-020-00827-4

Reference yield: 29.0%

3-Methanesulfonyl-thiazolidin-(2E)-ylidene-cyanamide (132433-56-8) + benzyl alcohol (100-51-6,185532-71-2) → 3-benzylthiazolidin-2-ylidenecyanamide (94777-00-1) + 2-(N-cyanoimino)thiazolidine (26364-65-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 80 ℃;

DOI:10.3987/com-95-s16

Reference yield:

2-(N-cyanoimino)thiazolidine (26364-65-8) → 3-benzyl-2-cyanoiminothiazolidine (94777-00-1)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DMF, room temp., 2.) room temp.;

upstream raw materials:

3-Methanesulfonyl-thiazolidin-(2E)-ylidene-cyanamide

benzyl alcohol

benzyl bromide

2-(N-cyanoimino)thiazolidine

Downstream raw materials:

C₁₂H₁₄N₃OS^(1-)*Na⁽¹⁺⁾

C₁₃H₁₆N₃OS^(1-)*Na⁽¹⁺⁾

3-benzyl-2-iminothiazolidine

3-benzyl-2-thiazolidinylidene-formamide