N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)-3-phenyl-DL-alanine

Base Information

• Chemical Name: N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)-3-phenyl-DL-alanine
• CAS No.: 60676-54-2
• Molecular Formula: C19H16 N2 O5
• Molecular Weight: 352.346
• European Community (EC) Number: 262-370-1
• NSC Number: 98649
• DSSTox Substance ID: DTXSID401166188
• ChEMBL ID: CHEMBL1893031
• Mol file: 60676-54-2.mol

Synonyms:60676-54-2;MLS002703462;EINECS 262-370-1;N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)-3-phenyl-DL-alanine;N-[(1,3-DIHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)ACETYL]-3-PHENYL-DL-ALANINE;NSC98649;CHEMBL1893031;SCHEMBL11465874;DTXSID401166188;NSC 98649;NSC-98649;AKOS015939224;SMR001570180;Phenylalanine, N-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl]-

Chemical Property of N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)-3-phenyl-DL-alanine

Chemical Property:

• Vapor Pressure: 3.91E-17mmHg at 25°C
• Melting Point: 193-194 °C
• Boiling Point: 637.7°C at 760 mmHg
• PKA: 3.49±0.10(Predicted)
• Flash Point: 339.4°C
• Density: 1.401g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 352.10592162
• Heavy Atom Count: 26
• Complexity: 561

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Technology Process of N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)-3-phenyl-DL-alanine

There total 3 articles about N-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)acetyl)-3-phenyl-DL-alanine 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:

N-phthaloylglycine chloride (6780-38-7) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → N-phthaloyl-glycyl-β-phenylalanine (60676-54-2)

Guidance literature:

With water; triethylamine; acetone; Reagens 4:Dioxan;

DOI:10.1021/ja01106a032

Reference yield:

N-phthaloylglycine (4702-13-0) → N-phthaloyl-glycyl-β-phenylalanine (60676-54-2)

Guidance literature:

With 1,4-dioxane; tributyl-amine; chloroformic acid ethyl ester; und anschliessend mit DL-Phenylalanin und wss.Natronlauge;

DOI:10.1002/hlca.19510340318

Reference yield:

→ N-phthaloyl-glycyl-β-phenylalanine (60676-54-2)

Guidance literature:

Phthalimidoessigsaeurechlorid, Phenylalanin, wss. NaHCO3;

DOI:10.1002/jlac.19687120125

upstream raw materials:

N-phthaloylglycine chloride

Phenylalanine

N-phthaloylglycine

Downstream raw materials:

N-(4-benzyl-5-oxo-4,5-dihydro-oxazol-2-ylmethyl)-phthalimide

glycylphenylalanine

N-(4-benzylidene-5-oxo-4,5-dihydro-oxazol-2-ylmethyl)-phthalimide

C₆H₄(CO)2NCH₂CONHCHCH₂(C₆H₅)COOSn(C₄H₉)3