2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid

Base Information

• Chemical Name: 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid
• CAS No.: 6305-23-3
• Molecular Formula: C12H8ClNO4
• Molecular Weight: 265.6492
• NSC Number: 41101
• DSSTox Substance ID: DTXSID50978987
• Nikkaji Number: J2.759.874I
• Wikidata: Q82964488
• ChEMBL ID: CHEMBL4551849
• Mol file: 6305-23-3.mol

Synonyms:2-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid;n-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)glycine;CHEMBL4551849;NSC41101;SCHEMBL7821747;DTXSID50978987;BDBM50504355;NSC-41101;STK034683;AKOS030489923;N-(3-chloro-1,4-naphthoquinon-2-yl)-glycine;AN-967/40848566;[(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino]acetic acid

Chemical Property of 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid

Chemical Property:

• Vapor Pressure: 6.56E-09mmHg at 25°C
• Boiling Point: 450.7°Cat760mmHg
• Flash Point: 226.4°C
• Density: 1.55g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 265.0141854
• Heavy Atom Count: 18
• Complexity: 443

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCC(=O)O

Technology Process of 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic acid

There total 3 articles about 2-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]acetic 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: 93.4%

2,3-Dichloro-1,4-naphthoquinone (117-80-6) + glycine (56-40-6,18875-39-3,25718-94-9) → N-2-(3-chloro-1,4-naphthoquinone)glycine (6305-23-3)

Guidance literature:

With potassium hydroxide; In methanol; several hours;

DOI:10.1248/cpb.28.1071

Reference yield:

quinoclamine (2797-51-5) + chloroacetic acid (79-11-8) → N-2-(3-chloro-1,4-naphthoquinone)glycine (6305-23-3)

Guidance literature:

In ethanol; at 120 ℃; for 3h;

DOI:10.1016/j.jorganchem.2011.10.036

Reference yield:

→ N-2-(3-chloro-1,4-naphthoquinone)glycine (6305-23-3)

Guidance literature:

/BRN= 3100757/;

upstream raw materials:

2,3-Dichloro-1,4-naphthoquinone

glycine

quinoclamine

chloroacetic acid