3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid

Base Information

• Chemical Name: 3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid
• CAS No.: 31368-57-7
• Molecular Formula: C23H31ClFN5O5S2
• Molecular Weight: 576.1041
• NSC Number: 127157
• DSSTox Substance ID: DTXSID60298966

Synonyms:31368-57-7;NSC127157;DTXSID60298966;NSC-127157;Ethanesulfonic acid--3-chloro-4-{4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl}benzene-1-sulfonyl fluoride (1/1)

Chemical Property of 3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid

Chemical Property:

• Vapor Pressure: 1.59E-14mmHg at 25°C
• Boiling Point: 603.6°Cat760mmHg
• Flash Point: 318.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 575.1439173
• Heavy Atom Count: 37
• Complexity: 903

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)N)N)C

Technology Process of 3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid

There total 1 articles about 3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid 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:

→ 3-Chloro-4-{4-[3-(4,6-diamino-2,2-dimethyl-2H-[1,3,5]triazin-1-yl)-phenyl]-butyl}-benzenesulfonyl fluoride; compound with ethanesulfonic acid (31368-57-7)

Guidance literature:

Sulfonylfluorid 32s, 1)Red. 2)Cyanoguanidin;

DOI:10.1021/jm00300a030

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