1-(2,4-Dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea

Base Information

• Chemical Name: 1-(2,4-Dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea
• CAS No.: 6372-24-3
• Molecular Formula: C₃₄H₄₁N₃O₉S
• Molecular Weight: 667.78
• DSSTox Substance ID: DTXSID90361758
• Wikidata: Q82144247
• Mol file: 6372-24-3.mol

Synonyms:1-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea;6372-24-3;Oprea1_648781;DTXSID90361758;STK076313;STL148644;AKOS005390866;AKOS005748549;AB00105821-01;1-(2,4-dichlorophenyl)-3-[(2E)-5-(4-nitrophenyl)-1,3,4-thiadiazol-2(3H)-ylidene]urea;426237-69-6

Chemical Property of 1-(2,4-Dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.662g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 408.9803157
• Heavy Atom Count: 26
• Complexity: 518

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NN=C(S2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

Technology Process of 1-(2,4-Dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea

There total 2 articles about 1-(2,4-Dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]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:

benzyl chloroformate (501-53-1,94274-21-2) → Nα-(γ-Benzyl-N-benzyloxycarbonyl-L-glutamyl)-Nε-tosyl-L-lysin-methylester (6372-24-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaHCO₃ / diethyl ether

2: DCC

With sodium hydrogencarbonate; dicyclohexyl-carbodiimide; In diethyl ether;

Reference yield:

N-benzyloxycarbonyl-5-O-benzyl-L-glutamic acid (5680-86-4) + Nε-Tosyl-L-lysinmethylester (10121-92-3) → Nα-(γ-Benzyl-N-benzyloxycarbonyl-L-glutamyl)-Nε-tosyl-L-lysin-methylester (6372-24-3)

Guidance literature:

With dicyclohexyl-carbodiimide;

Reference yield:

Nα-(γ-Benzyl-N-benzyloxycarbonyl-L-glutamyl)-Nε-tosyl-L-lysin-methylester (6372-24-3) → Nα-(α-L-Glutamyl)-Nε-tosyl-L-lysin-methylester (5891-58-7)

Guidance literature:

With hydrogen; palladium on activated charcoal;

upstream raw materials:

N-benzyloxycarbonyl-5-O-benzyl-L-glutamic acid

N^ε-Tosyl-L-lysinmethylester

benzyl chloroformate

Downstream raw materials:

N^α-(α-L-Glutamyl)-N^ε-tosyl-L-lysin-methylester