7-[(Phenylsulfonyl)amino]heptanoic acid

Base Information

• Chemical Name: 7-[(Phenylsulfonyl)amino]heptanoic acid
• CAS No.: 123469-53-4
• Molecular Formula: C₁₃H₁₉NO₄S
• Molecular Weight: 285.364
• DSSTox Substance ID: DTXSID70877307
• Nikkaji Number: J412.866D
• Wikidata: Q82859072
• ChEMBL ID: CHEMBL56419
• Mol file: 123469-53-4.mol

Synonyms:7-[(phenylsulfonyl)amino]heptanoic acid;123469-53-4;7-(benzenesulfonamido)heptanoic acid;7-Benzenesulfonylamino-heptanoic acid;7-benzenesulfonamidoheptanoic acid;7-(Phenylsulfonamido)heptanoic acid;MLS000068559;CHEMBL56419;SCHEMBL9869749;DTXSID70877307;VYASIDRVJHKUNA-UHFFFAOYSA-N;7-(Phenylsulfonamido)heptanoicacid;HMS2419M09;7-(benzenesulphonamido)heptanoic acid;MFCD01230276;STK149314;7-(Phenylsulfonylamino)heptanoic acid;AKOS000183114;Heptanoic acid, 7-benzenesulfonylamino;SB82273;LS-08763;SMR000123010;CS-0314293;EN300-7386835;SR-01000357624;SR-01000357624-1;Z45549572

Chemical Property of 7-[(Phenylsulfonyl)amino]heptanoic acid

Chemical Property:

• Boiling Point: 476.4±47.0 °C(Predicted)
• PKA: 4.76±0.10(Predicted)
• Density: 1?+-.0.06 g/cm3(Predicted)
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 285.10347926
• Heavy Atom Count: 19
• Complexity: 355

Purity/Quality:

99% ^*data from raw suppliers

7-[(Phenylsulfonyl)amino]heptanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)S(=O)(=O)NCCCCCCC(=O)O

Technology Process of 7-[(Phenylsulfonyl)amino]heptanoic acid

There total 1 articles about 7-[(Phenylsulfonyl)amino]heptanoic 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:

benzenesulfonyl chloride (98-09-9) + 7-aminoheptanoic acid (929-17-9) → 7-benzenesulfonylamino-heptanoic acid (123469-53-4)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; for 2h; Ambient temperature;

DOI:10.1021/jm00110a020

upstream raw materials:

benzenesulfonyl chloride

7-aminoheptanoic acid

Refernces