Urea, 1-((p-(2-(4-amino-5-chloro-2-methoxybenzenesulfonamido)ethyl)phenyl)sulfonyl)-3-propyl-

Base Information

• Chemical Name: Urea, 1-((p-(2-(4-amino-5-chloro-2-methoxybenzenesulfonamido)ethyl)phenyl)sulfonyl)-3-propyl-
• CAS No.: 81514-37-6
• Molecular Formula: C19H25ClN4O6S2
• Molecular Weight: 505.008
• DSSTox Substance ID: DTXSID60231171
• Nikkaji Number: J127.560G
• Wikidata: Q83112010
• Mol file: 81514-37-6.mol

Synonyms:81514-37-6;BRN 5667989;Urea, 1-((p-(2-(4-amino-5-chloro-2-methoxybenzenesulfonamido)ethyl)phenyl)sulfonyl)-3-propyl-;p-((2-(5-Chloro-4-amino-2-methoxybenzenesulfonamido)ethyl)phenyl)sulfonyl-3-propylurea;1-[4-[2-[(4-amino-5-chloro-2-methoxyphenyl)sulfonylamino]ethyl]phenyl]sulfonyl-3-propyl-urea;C19H25ClN4O6S2;DTXSID60231171;C19-H25-Cl-N4-O6-S2;LS-158822;1-[[4-[2-[[(4-Amino-5-chloro-2-methoxyphenyl)sulfonyl]amino]ethyl]phenyl]sulfonyl]-3-propylurea

Chemical Property of Urea, 1-((p-(2-(4-amino-5-chloro-2-methoxybenzenesulfonamido)ethyl)phenyl)sulfonyl)-3-propyl-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 176.94000
• Density: 1.396g/cm³
• LogP: 5.57870
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 504.0904046
• Heavy Atom Count: 32
• Complexity: 807

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CCNS(=O)(=O)C2=C(C=C(C(=C2)Cl)N)OC

Technology Process of Urea, 1-((p-(2-(4-amino-5-chloro-2-methoxybenzenesulfonamido)ethyl)phenyl)sulfonyl)-3-propyl-

There total 4 articles about Urea, 1-((p-(2-(4-amino-5-chloro-2-methoxybenzenesulfonamido)ethyl)phenyl)sulfonyl)-3-propyl- 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: 95.0%

C19H23ClN4O8S2 (81514-34-3) → C19H25ClN4O6S2 (81514-37-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; Ambient temperature;

Reference yield:

5-Chlor-2-methoxy-4-nitro-benzolsulfonylchlorid (62833-51-6) → C19H25ClN4O6S2 (81514-37-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / triethylamine / diethyl ether; ethanol / 0.75 h / Heating

2: 91 percent / Na₂CO₃ / acetone / 8 h / Heating

3: 95 percent / hydrogen / Pd-C / ethanol / Ambient temperature

With hydrogen; sodium carbonate; triethylamine; palladium on activated charcoal; In diethyl ether; ethanol; acetone;

Reference yield:

chlorhydrate de (β-aminoethyl)-4 benzenesulfonamide (6325-22-0,42286-14-6) → C19H25ClN4O6S2 (81514-37-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 74 percent / triethylamine / diethyl ether; ethanol / 0.75 h / Heating

2: 91 percent / Na₂CO₃ / acetone / 8 h / Heating

3: 95 percent / hydrogen / Pd-C / ethanol / Ambient temperature

With hydrogen; sodium carbonate; triethylamine; palladium on activated charcoal; In diethyl ether; ethanol; acetone;

upstream raw materials:

C₁₉H₂₃ClN₄O₈S₂

5-Chlor-2-methoxy-4-nitro-benzolsulfonylchlorid

chlorhydrate de (β-aminoethyl)-4 benzenesulfonamide

5-Chloro-2-methoxy-4-nitro-N-[2-(4-sulfamoyl-phenyl)-ethyl]-benzenesulfonamide