CID 23

Base Information

• Chemical Name: CID 23
• CAS No.: 16597-58-3
• Molecular Formula: C₇H₇NO₅
• Molecular Weight: 185.136
• Hs Code.: 2922509090
• DSSTox Substance ID: DTXSID10274255
• Wikipedia: 2-Amino-3-carboxymuconic_semialdehyde
• Wikidata: Q27109180
• Mol file: 16597-58-3.mol

Synonyms:16597-58-3;2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid;SCHEMBL188166;DTXSID10274255;1-amino-4-formyl-1,3-butadiene-1,2-dicarboxylic acid;2-Amino-3-(3-oxo-1-propen-1-yl)-2-butenedioic acid

Chemical Property of CID 23

Chemical Property:

• Vapor Pressure: 3.99E-07mmHg at 25°C
• Refractive Index: 1.594
• Boiling Point: 388.8°Cat760mmHg
• Flash Point: 188.9°C
• PSA: 117.69000
• Density: 1.527g/cm³
• LogP: -0.17620
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 185.03242232
• Heavy Atom Count: 13
• Complexity: 302

Purity/Quality:

99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=CC(=C(C(=O)O)N)C(=O)O)C=O

Technology Process of CID 23

There total 3 articles about CID 23 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:

3-hydroxyanthranilic acid (548-93-6) → 2-amino-3-carboxymuconic acid 6-semialdehyde (16597-58-3)

Guidance literature:

With 3-hydroxyanthranilate 3,4-dioxygenase; oxygen; In aq. buffer;

DOI:10.1074/jbc.M113.496869

Reference yield:

3-hydroxyanthranilate (1074-80-2) → 2-amino-3-carboxymuconic acid 6-semialdehyde (16597-58-3)

Guidance literature:

With 3-hydroxyanthranilate 3,4-dioxygenase N₂₇A mutant; oxygen; In aq. buffer; at 20 ℃; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1074/jbc.RA118.002698

Reference yield:

→ 2-amino-3-carboxymuconic acid 6-semialdehyde (16597-58-3)

Guidance literature:

3-Hydroxy-anthranilsaeure, Einw. v. Leberextrakt;

DOI:10.1515/bchm2.1966.345.1.195

upstream raw materials:

3-hydroxyanthranilic acid

3-hydroxyanthranilate

Downstream raw materials:

2-hydroxy-6-oxohexa-2,4-dienoic acid