1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-

Base Information

• Chemical Name: 1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-
• CAS No.: 36783-03-6
• Deprecated CAS: 134247-64-6
• Molecular Formula: C12H19 N O3 S
• Molecular Weight: 257.354
• Hs Code.: 2921499090
• European Community (EC) Number: 253-210-1
• UNII: LUL37W82IY
• DSSTox Substance ID: DTXSID8067999
• Nikkaji Number: J332.358G
• Wikidata: Q81994690
• Mol file: 36783-03-6.mol

Synonyms:36783-03-6;1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-;3-(N-ethyl-3-methylanilino)propane-1-sulfonic acid;LUL37W82IY;n-ethyl-n-sulfopropyl-m-toluidine;EINECS 253-210-1;1-Propanesulfonic acid, 3-(ethyl(3-methylphenyl)amino)-;3-(Ethyl(3-methylphenyl)amino)propanesulphonic acid;3-[ETHYL(3-METHYLPHENYL)AMINO]PROPANESULPHONIC ACID;1-Propanesulfonic acid, 3-((N-ethyl-N-(3-methylphenyl)amino)-;3-[Ethyl(3-methylphenyl)amino]-1-propanesulfonic acid;3-(ETHYL(3-METHYLPHENYL)AMINO)-1-PROPANESULFONIC ACID;UNII-LUL37W82IY;SCHEMBL186733;DTXSID8067999;n-ethyl-n-sulfopropyl-3-methylaniline;n-ethyl-n-(3-sulfopropyl)-3-methylaniline;3-(N-ETHYL-M-TOLUIDINO)-1-PROPANESULFONIC ACID

Chemical Property of 1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 65.99000
• Density: 1.215g/cm³
• LogP: 3.18000
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 257.10856464
• Heavy Atom Count: 17
• Complexity: 310

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CCCS(=O)(=O)O)C1=CC=CC(=C1)C

Technology Process of 1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]-

There total 3 articles about 1-Propanesulfonic acid, 3-[ethyl(3-methylphenyl)amino]- 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:

3-Methylacetanilide (537-92-8) → 3-[ethyl(3-methylphenyl)amino]propanesulfonic acid (36783-03-6)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: benzene

With lithium aluminium tetrahydride; In diethyl ether; benzene;

DOI:10.1021/ja01493a036

Reference yield:

1,3-propanesultone (1120-71-4) + N-ethyl-m-toulidine (102-27-2) → 3-[ethyl(3-methylphenyl)amino]propanesulfonic acid (36783-03-6)

Guidance literature:

In benzene;

DOI:10.1021/ja01493a036

Reference yield:

→ 3-[ethyl(3-methylphenyl)amino]propanesulfonic acid (36783-03-6)

Guidance literature:

3-Hydroxy-1-propansulfonsaeuresulton, N-Ethyl-m-toluidin, CH2Cl2;

upstream raw materials:

1,3-propanesultone

N-ethyl-m-toulidine

3-Methylacetanilide

Downstream raw materials:

4-Amino-N-ethyl-3-methyl-N-<3-sulfopropyl>-anilin