Azepane-1-sulfonyl chloride

Base Information

• Chemical Name: Azepane-1-sulfonyl chloride
• CAS No.: 41483-72-1
• Molecular Formula: C6H12ClNO2S
• Molecular Weight: 197.686
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID301274641
• Mol file: 41483-72-1.mol

Synonyms:azepane-1-sulfonyl chloride;41483-72-1;homopiperidinesulfonyl chloride;azepane-1-sulfonylchloride;SCHEMBL3937944;XLZNMEMFFRNANZ-UHFFFAOYSA-N;DTXSID301274641;MFCD08444495;AKOS000263671;azepane-1-sulfonyl chloride, AldrichCPR;Hexahydro-1H-azepine-1-sulfonyl chloride;VS-10175;EN300-25764;G29835;F1909-0038;Z217293320

Chemical Property of Azepane-1-sulfonyl chloride

Chemical Property:

• PSA: 45.76000
• LogP: 2.36470
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 197.0277275
• Heavy Atom Count: 11
• Complexity: 201

Purity/Quality:

NLT 98% ^*data from raw suppliers

Azepane-1-sulfonylChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCN(CC1)S(=O)(=O)Cl

Technology Process of Azepane-1-sulfonyl chloride

There total 2 articles about Azepane-1-sulfonyl chloride 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:

hexamethylene imine (111-49-9) → homopiperidinesulfonyl chloride (41483-72-1)

Guidance literature:

With sulfuryl dichloride; triethylamine; In acetonitrile; at 50 ℃; for 0.5h;

DOI:10.1039/d1sc01351c

Reference yield:

azepane hydrochloride (2088-78-0) → homopiperidinesulfonyl chloride (41483-72-1)

Guidance literature:

With sulfuryl dichloride; Yield given; Heating;

DOI:10.1021/jm950592+

Reference yield: 81.0%

N-acryloylaniline (2210-24-4) + homopiperidinesulfonyl chloride (41483-72-1) → 3-(azepan-1-ylsulfonyl)-N-phenylpropanamide

Guidance literature:

With tris-(trimethylsilyl)silane; Eosin Y; In acetonitrile; at 20 ℃; for 4h; Irradiation;

DOI:10.1021/jacs.9b13071

upstream raw materials:

azepane hydrochloride

hexamethylene imine

Downstream raw materials:

4-((azepane-1-sulfonamido)methyl)-1-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-5-(5-((4-(trifluoromethyl)phenyl)ethynyl)-thiophene-2-yl)-1H-pyrazole-3-carboxamide

Refernces

• 1、 Von Geldern, Thomas W.,Kester, Jeffrey A.,Bal, Radhika,Wu-Wong, Jinshyun R.,Chiou, William,Dixon, Douglas B.,Opgenorth, Terry J.. "Azole endothelin antagonists. 2. Structure-activity studies". . p. 968 - 981. Retrieved 2007/10/03.