4-(4-Methyl-piperazine-1-sulfonyl)-benzoic acid

Base Information

• Chemical Name: 4-(4-Methyl-piperazine-1-sulfonyl)-benzoic acid
• CAS No.: 19580-36-0
• Molecular Formula: C12H16 N2 O4 S
• Molecular Weight: 284.336
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20354759
• Mol file: 19580-36-0.mol

Synonyms:19580-36-0;4-(4-Methyl-piperazine-1-sulfonyl)-benzoic acid;4-((4-Methylpiperazin-1-yl)sulfonyl)benzoic acid;4-(4-methylpiperazin-1-yl)sulfonylbenzoic acid;4-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid;Cambridge id 5156996;Oprea1_120304;Oprea1_550682;CBDivE_003625;SCHEMBL4911628;DTXSID20354759;BBL013190;MFCD00551821;STK982291;AKOS000123635;VS-03697;FT-0677078;4-((4-Methylpiperazin-1-yl)sulfonyl)benzoicacid;Z53035353;4-[(4-Methyl-1-piperazinyl)sulfonyl]benzoic acid, AldrichCPR

Chemical Property of 4-(4-Methyl-piperazine-1-sulfonyl)-benzoic acid

Chemical Property:

• PSA: 86.30000
• LogP: 1.27750
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 284.08307817
• Heavy Atom Count: 19
• Complexity: 416

Purity/Quality:

98%min ^*data from raw suppliers

4-(4-Methyl-piperazine-1-sulfonyl)-benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O

Technology Process of 4-(4-Methyl-piperazine-1-sulfonyl)-benzoic acid

There total 1 articles about 4-(4-Methyl-piperazine-1-sulfonyl)-benzoic 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:

→ 4-(4-methyl-piperazine-1-sulfonyl)-benzoic acid (19580-36-0)

Guidance literature:

entspr. Piperazin, entspr. Sulfonylchlorid;

Reference yield: 9.0%

4-(4-methoxyphenyl)pyridine-2,3-diamine (934018-35-6) + 4-(4-methyl-piperazine-1-sulfonyl)-benzoic acid (19580-36-0) → 7-(4-methoxyphenyl)-2-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-3H-imidazo[4,5-b]pyridine hydrochloride

Guidance literature:

4-(4-methoxyphenyl)pyridine-2,3-diamine; 4-(4-methyl-piperazine-1-sulfonyl)-benzoic acid; With N-ethyl-N,N-diisopropylamine; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

With acetic acid; at 120 ℃; for 0.166667h; Microwave irradiation;

With hydrogenchloride; In methanol; diethyl ether; dichloromethane;

Reference yield:

C10H17NO4*C2HF3O2 + 4-(4-methyl-piperazine-1-sulfonyl)-benzoic acid (19580-36-0) → C17H23N3O5S

Guidance literature:

With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 23 ℃; for 16h;

DOI:10.1016/j.bmcl.2015.08.074