3-[(Toluene-4-sulfonyl)-p-tolyl-amino]-propionic acid

Base Information

• Chemical Name: 3-[(Toluene-4-sulfonyl)-p-tolyl-amino]-propionic acid
• CAS No.: 101585-37-9
• Molecular Formula: C₁₇H₁₉NO₄S
• Molecular Weight: 333.408
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID80364278
• Wikidata: Q82148137
• ChEMBL ID: CHEMBL1312978
• Mol file: 101585-37-9.mol

Synonyms:101585-37-9;3-[(Toluene-4-sulfonyl)-p-tolyl-amino]-propionic acid;3-(4-Methyl-N-(p-tolyl)phenylsulfonamido)propanoic acid;3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propanoic acid;beta-Alanine, N-(4-methylphenyl)-N-[(4-methylphenyl)sulfonyl]-;Oprea1_478454;MLS000393289;CHEMBL1312978;DTXSID80364278;HMS2572O05;AKOS001072795;SMR000243758;EN300-04538;J-510734;Z56886474;3-(4-Methyl-N-(p-tolyl)phenylsulfonamido)propanoicacid;3-[N-(4-methylphenyl)(4-methylbenzene)sulfonamido]propanoic acid;3-[N-(4-methylphenyl)-4-methylbenzenesulfonamido]propanoic acid;N-(4-Methylbenzene-1-sulfonyl)-N-(4-methylphenyl)-beta-alanine

Chemical Property of 3-[(Toluene-4-sulfonyl)-p-tolyl-amino]-propionic acid

Chemical Property:

• Vapor Pressure: 2.13E-12mmHg at 25°C
• Boiling Point: 537.8°Cat760mmHg
• Flash Point: 279°C
• PSA: 83.06000
• Density: 1.295g/cm³
• LogP: 4.05420
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 333.10347926
• Heavy Atom Count: 23
• Complexity: 483

Purity/Quality:

97% ^*data from raw suppliers

3-[(TOLUENE-4-SULFONYL)-P-TOLYL-AMINO]-PROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)N(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C

Technology Process of 3-[(Toluene-4-sulfonyl)-p-tolyl-amino]-propionic acid

There total 2 articles about 3-[(Toluene-4-sulfonyl)-p-tolyl-amino]-propionic 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:

chloropropionic acid (107-94-8) + 4-methyl-N-(4-methylphenyl)benzenesulfonamide (599-86-0) → N-(toluene-4-sulfonyl)-N-p-tolyl-β-alanine (101585-37-9)

Guidance literature:

With sodium hydroxide;

Reference yield:

→ N-(toluene-4-sulfonyl)-N-p-tolyl-β-alanine (101585-37-9)

Guidance literature:

β-(N-p-Toluolsulfonyl-p-toluidino)-propionsaeure-methylester, wss. KOH, Verseifung;

DOI:10.1039/jr9600002053

Reference yield:

N-(toluene-4-sulfonyl)-N-p-tolyl-β-alanine (101585-37-9) → N-(p-toluenesulfonyl)-4-chloro-6-methyl-1,2-dihydroquinoline

Guidance literature:

With trichlorophosphate; at 100 ℃;

upstream raw materials:

chloropropionic acid

4-methyl-N-(4-methylphenyl)benzenesulfonamide

Downstream raw materials:

6-methyl-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-quinolin-4-one

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