6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid

Base Information

• Chemical Name: 6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid
• CAS No.: 4887-54-1
• Molecular Formula: C10H15NO4
• Molecular Weight: 213.233
• NSC Number: 192705
• DSSTox Substance ID: DTXSID20307548
• Wikidata: Q82054977
• ChEMBL ID: CHEMBL1880943
• Mol file: 4887-54-1.mol

Synonyms:6-(2,5-dioxopyrrolidin-1-yl)hexanoic acid;4887-54-1;2,5-Dioxo-1-pyrrolidinehexanoic acid;NSC192705;starbld0033999;MLS000036947;SCHEMBL1618771;CHEMBL1880943;DTXSID20307548;HMS2319J11;BBL012307;MFCD00523382;STK739528;AKOS000137598;NSC 192705;NSC-192705;NCGC00019945-01;NCGC00019945-02;SMR000034328;VS-03272;6-(2,5-dioxo-1-pyrrolidinyl)hexanoic acid;EU-0008322;SR-01000001842;SR-01000001842-2;F0914-6131;6-(2,5-dioxo-pyrrolidin-1-yl)-hexanoic acid, AldrichCPR

Chemical Property of 6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid

Chemical Property:

• Vapor Pressure: 2.22E-09mmHg at 25°C
• Boiling Point: 450.8°Cat760mmHg
• Flash Point: 226.4°C
• PSA: 74.68000
• Density: 1.246g/cm³
• LogP: 0.71830
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 213.10010796
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

6-(2,5-DIOXOPYRROLIDIN-1-YL)HEXANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)N(C1=O)CCCCCC(=O)O

Technology Process of 6-(2,5-Dioxopyrrolidin-1-yl)hexanoic acid

There total 3 articles about 6-(2,5-Dioxopyrrolidin-1-yl)hexanoic 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: 82.0%

succinic acid anhydride (108-30-5) + 6-aminohexanoic acid (60-32-2,93208-38-9) → 6-(2,5-dioxopyrrolidine-1-yl)hexanoic acid (4887-54-1)

Guidance literature:

In acetone; at 20 ℃;

DOI:10.3390/molecules14083019

Reference yield:

caprolactam (105-60-2,9012-16-2) + succinic acid anhydride (108-30-5) → 6-(2,5-dioxopyrrolidine-1-yl)hexanoic acid (4887-54-1)

Guidance literature:

With nitrogen; In water;

Reference yield:

→ 6-(2,5-dioxopyrrolidine-1-yl)hexanoic acid (4887-54-1)

Guidance literature:

ε-Caprolactam, entspr. Phthalsaeureanhydrid;

upstream raw materials:

caprolactam

succinic acid anhydride

6-aminohexanoic acid