2-(Aminomethyl)-4-chlorobenzenesulfonic acid

Base Information

• Chemical Name: 2-(Aminomethyl)-4-chlorobenzenesulfonic acid
• CAS No.: 90196-35-3
• Molecular Formula: C₇H₈ClNO₃S
• Molecular Weight: 221.664
• DSSTox Substance ID: DTXSID101255784

Synonyms:2-(Aminomethyl)-4-chlorobenzenesulfonic acid;SCHEMBL1804210;DTXSID101255784;90196-35-3

Chemical Property of 2-(Aminomethyl)-4-chlorobenzenesulfonic acid

Chemical Property:

• XLogP3: -2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 220.9913420
• Heavy Atom Count: 13
• Complexity: 261

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)CN)S(=O)(=O)O

Technology Process of 2-(Aminomethyl)-4-chlorobenzenesulfonic acid

There total 2 articles about 2-(Aminomethyl)-4-chlorobenzenesulfonic 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: 53.0%

3-chloro-benzylamine; hydrochloride (42365-42-4) → 2-(Aminomethyl)-4-chlorobenzenesulfonic acid (90196-35-3)

Guidance literature:

With chlorosulfonic acid; 1) 130 deg C, 18 h, 2) 55 deg C, 1 h;

DOI:10.1016/S0040-4020(01)81794-4

Reference yield:

→ 2-(Aminomethyl)-4-chlorobenzenesulfonic acid (90196-35-3)

Guidance literature:

3-Chlor-benzylamin, 1. Chlorsulfonsaeure, Erhitzen, 2. Rk.prod., W.;

Reference yield:

2-(Aminomethyl)-4-chlorobenzenesulfonic acid (90196-35-3) + tetra(n-butyl)ammonium hydroxide (2052-49-5) → Tetrabutylammonium 2-(aminomethyl)-4-chlorobenzenesulfonate (130496-96-7)

Guidance literature:

In methanol; water;

DOI:10.1016/S0040-4020(01)81794-4

upstream raw materials:

3-chloro-benzylamine; hydrochloride

Downstream raw materials:

Tetrabutylammonium 2-(aminomethyl)-4-chlorobenzenesulfonate

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