2-(1,3-Dioxo-1H-benzo[DE]isoquinolin-2(3H)-YL)propanoic acid

Base Information

• Chemical Name: 2-(1,3-Dioxo-1H-benzo[DE]isoquinolin-2(3H)-YL)propanoic acid
• CAS No.: 135980-46-0
• Molecular Formula: C₁₅H₁₁NO₄
• Molecular Weight: 269.257
• European Community (EC) Number: 663-891-0
• Nikkaji Number: J2.932.136A
• Mol file: 135980-46-0.mol

Synonyms:135980-46-0;2-(1,3-DIOXO-1H-BENZO[DE]ISOQUINOLIN-2(3H)-YL)PROPANOIC ACID;2-(1,3-dioxo-1h,h-benzo[de]isoquinolin-2-yl)-propionic acid;2-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanoic acid;2-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-propionic acid;AKOS000148133;N-(1-Carboxyethyl)naphthalene-1,8-dicarbimide;SR-01000318902;SR-01000318902-1;2-(1,3-DIOXO-1H-BENZO[DE]ISOQUINOLIN-2(3H)-YL)PROPANOICACID

Chemical Property of 2-(1,3-Dioxo-1H-benzo[DE]isoquinolin-2(3H)-YL)propanoic acid

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 269.06880783
• Heavy Atom Count: 20
• Complexity: 431

Purity/Quality:

98%min ^*data from raw suppliers

2-(1,3-Dioxo-1H,H-benzo[de]isoquinolin-2-yl)-propionic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)O)N1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O

Technology Process of 2-(1,3-Dioxo-1H-benzo[DE]isoquinolin-2(3H)-YL)propanoic acid

There total 3 articles about 2-(1,3-Dioxo-1H-benzo[DE]isoquinolin-2(3H)-YL)propanoic 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%

1,8-Naphthalic anhydride (81-84-5) + L-alanin (56-41-7,25191-17-7,18875-37-1) → S-1,3-dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid (79444-34-1,86747-14-0,135980-46-0,79444-35-2)

Guidance literature:

In N,N-dimethyl-formamide; for 1h; Heating;

DOI:10.1021/ja076519d

Reference yield:

1,8-Naphthalic anhydride (81-84-5) → S-1,3-dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid (79444-34-1,86747-14-0,135980-46-0,79444-35-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,2-dimethoxyethane / 5 h / Reflux

2: sodium acetate; acetic anhydride / 2 h / Reflux

With sodium acetate; acetic anhydride; In 1,2-dimethoxyethane;

DOI:10.1007/s00044-010-9492-1

Reference yield:

C15H13NO5 → S-1,3-dioxo-1H-benzisoquinoline-2(3H)-2'-propionic acid (79444-34-1,86747-14-0,135980-46-0,79444-35-2)

Guidance literature:

With sodium acetate; acetic anhydride; for 2h; Reflux;

DOI:10.1007/s00044-010-9492-1

upstream raw materials:

1,8-Naphthalic anhydride

L-alanin