5-(2-Aminopropyl)-2-methoxybenzenesulfonamide

Base Information

• Chemical Name: 5-(2-Aminopropyl)-2-methoxybenzenesulfonamide
• CAS No.: 112244-38-9
• Molecular Formula: C10H16N2O3S
• Molecular Weight: 244.315
• Hs Code.: 2935009090
• European Community (EC) Number: 601-175-1
• DSSTox Substance ID: DTXSID301251764
• Nikkaji Number: J3.548.004H
• Mol file: 112244-38-9.mol

Synonyms:5-(2-AMINOPROPYL)-2-METHOXYBENZENESULFONAMIDE;112244-38-9;(r)-5-(2-aminopropyl)-2-methoxy benzene sulfonamide;SCHEMBL1412240;SCHEMBL13880696;IORITYIZDHJCGT-UHFFFAOYSA-N;DTXSID301251764;AKOS015914394;AC-5617;5-(-2-aminopropyl]-2-methoxybenzenesulfonamide;F51152

Chemical Property of 5-(2-Aminopropyl)-2-methoxybenzenesulfonamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 166-168 °C
• Refractive Index: 1.557
• Boiling Point: 445.507 °C at 760 mmHg
• PKA: 10.08±0.60(Predicted)
• Flash Point: 223.235 °C
• PSA: 103.79000
• Density: 1.248 g/cm³
• LogP: 2.71370
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.08816355
• Heavy Atom Count: 16
• Complexity: 313

Purity/Quality:

98%Min ^*data from raw suppliers

5-(2-Aminopropyl)-2-methoxybenzenesulfonamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC(=C(C=C1)OC)S(=O)(=O)N)N
• Uses: 5-(2-Aminopropyl)-2-methoxybenzenesulphonamide can be used to prepare compounds that can treat α1-adrenoceptor related diseases.

Technology Process of 5-(2-Aminopropyl)-2-methoxybenzenesulfonamide

There total 3 articles about 5-(2-Aminopropyl)-2-methoxybenzenesulfonamide 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: 35.0%

2-methoxy-5-(2-oxopropyl)benzenesulfonamide (116091-63-5) → (+/-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide (112244-38-9)

Guidance literature:

With ammonium acetate; sodium cyanoborohydride; In methanol; at 20 ℃; for 15h;

DOI:10.1016/j.ejmech.2010.09.042

Reference yield:

5-(2-hydroxyiminopropyl)-2-methoxybenzenesulfonamide (944395-49-7) → (+/-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide (112244-38-9)

Guidance literature:

With hydrogen; nickel; In methanol; at 20 ℃; for 8h; under 2942.29 Torr;

Reference yield:

5-(2-hydroxyiminopropyl)-2-methoxy benzenesulfonamide → (+/-)-5-(2-aminopropyl)-2-methoxybenzenesulfonamide (112244-38-9)

Guidance literature:

upstream raw materials:

5-(2-hydroxyiminopropyl)-2-methoxybenzenesulfonamide

2-methoxy-5-(2-oxopropyl)benzenesulfonamide

Downstream raw materials:

C₂₁H₃₄N₂O₅S

C₂₁H₃₄N₂O₅S

5-[(2R)-2-aminopropyl]-2-methoxybenzenesulfonamide D-mandelate

5-[2-[2-(2-ethoxyphenoxy)-ethylamino]-2-methylethyl]-2-methoxybenzenesulfonamide

Refernces

• 1、 -. "PROCESS FOR MANUFACTURING OPTICALLY PURE (R) OR (S)-5-(2-AMINOPROPYL)-2-METHOXYBENZENE SULFONAMIDE". Page/Page column 3. . Retrieved 2008/06/13.