2-{[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)sulfonyl]-amino}-3-phenylpropanoic acid

Base Information

• Chemical Name: 2-{[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)sulfonyl]-amino}-3-phenylpropanoic acid
• CAS No.: 1396964-72-9
• Molecular Formula: C₁₉H₂₀N₂O₅S
• Molecular Weight: 388.444
• ChEMBL ID: CHEMBL1342733
• DSSTox Substance ID: DTXSID101170120
• Mol file: 1396964-72-9.mol

Synonyms:1396964-72-9;2-{[(1-ACETYL-2,3-DIHYDRO-1H-INDOL-5-YL)SULFONYL]-AMINO}-3-PHENYLPROPANOIC ACID;2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-phenylpropanoic acid;2-{[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]amino}-3-phenylpropanoic acid;2-(1-Acetylindoline-5-sulfonamido)-3-phenylpropanoic acid;2-([(1-Acetyl-2,3-dihydro-1h-indol-5-yl)sulfonyl]amino)-3-phenylpropanoic acid;MLS001030487;CHEMBL1342733;DTXSID101170120;HMS2951L18;MFCD12027218;AKOS000264743;SB64833;LS-02314;SMR000635402;CS-0357059;((1-Acetylindolin-5-yl)sulfonyl)phenylalanine;2-(1-Acetylindoline-5-sulfonamido)-3-phenylpropanoicacid;Phenylalanine, N-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-;2-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonamido)-3-phenylpropanoic acid

Chemical Property of 2-{[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)sulfonyl]-amino}-3-phenylpropanoic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 388.10929292
• Heavy Atom Count: 27
• Complexity: 654

Purity/Quality:

98%min ^*data from raw suppliers

2-{[(1-Acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-amino}-3-phenylpropanoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NC(CC3=CC=CC=C3)C(=O)O

Technology Process of 2-{[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)sulfonyl]-amino}-3-phenylpropanoic acid

There total 1 articles about 2-{[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)sulfonyl]-amino}-3-phenylpropanoic 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: 88.0%

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) + 1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride (52206-05-0) → (S)-2-(1-Acetyl-2,3-dihydro-1H-indole-5-sulfonylamino)-3-phenyl-propionic acid (1396964-72-9)

Guidance literature:

With triethylamine; In tetrahydrofuran; water; at 10 ℃; for 0.5h;

Reference yield:

methyl (L)-leucinate hydrochloride (7517-19-3) + (S)-2-(1-Acetyl-2,3-dihydro-1H-indole-5-sulfonylamino)-3-phenyl-propionic acid (1396964-72-9) → (S)-2-[(S)-2-(1-Acetyl-2,3-dihydro-1H-indole-5-sulfonylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid methyl ester

Guidance literature:

With triethylamine; dicyclohexyl-carbodiimide; Yield given. Multistep reaction; 1.) THF, 20 deg C, 30 min, 2.) THF, 2 h, 0 deg C, then 2 h, room temp.;

upstream raw materials:

L-phenylalanine

1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl chloride