(3E)-1-ethyl-3-[5-nitro-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-ylidene]urea

Base Information

• Chemical Name: (3E)-1-ethyl-3-[5-nitro-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-ylidene]urea
• CAS No.: 52121-08-1
• Molecular Formula: C13H19N5O4S
• Molecular Weight: 341.3861
• NSC Number: 273360
• DSSTox Substance ID: DTXSID50421423

Synonyms:NSC273360;52121-08-1;DTXSID50421423;NSC-273360

Chemical Property of (3E)-1-ethyl-3-[5-nitro-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-ylidene]urea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.48g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 341.11577528
• Heavy Atom Count: 23
• Complexity: 551

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)N=C1N(C=C(S1)[N+](=O)[O-])CC(=O)N2CCCCC2
• Isomeric SMILES: CCNC(=O)/N=C/1\N(C=C(S1)[N+](=O)[O-])CC(=O)N2CCCCC2

Technology Process of (3E)-1-ethyl-3-[5-nitro-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-ylidene]urea

There total 2 articles about (3E)-1-ethyl-3-[5-nitro-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-ylidene]urea 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:

1-chloroacetyl-piperidine (1440-60-4) + 1-ethyl-3-(5-nitro-thiazol-2-yl)-urea (139-94-6) → 1-[(2-ethylcarbamoylimino-5-nitro-thiazol-3-yl)-acetyl]-piperidine (52121-08-1)

Guidance literature:

Multistep reaction; (i) NaH, DMF, (ii) /BRN= 114844/;

DOI:10.1021/jm00248a014

Reference yield:

1-(2-bromoacetyl)piperidine (1796-25-4) + 1-ethyl-3-(5-nitro-thiazol-2-yl)-urea (139-94-6) → 1-[(2-ethylcarbamoylimino-5-nitro-thiazol-3-yl)-acetyl]-piperidine (52121-08-1)

Guidance literature:

Multistep reaction; (i) NaH, DMF, (ii) /BRN= 1100276/;

DOI:10.1021/jm00248a014

upstream raw materials:

1-chloroacetyl-piperidine

1-ethyl-3-(5-nitro-thiazol-2-yl)-urea

1-(2-bromoacetyl)piperidine

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