1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid

Base Information

• Chemical Name: 1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid
• CAS No.: 7509-13-9
• Molecular Formula: C10H6NO3-
• Molecular Weight: 189.17
• Hs Code.: 2933790090
• European Community (EC) Number: 816-806-8
• NSC Number: 407253,131339
• DSSTox Substance ID: DTXSID00299558
• Nikkaji Number: J81.412A
• Wikidata: Q82042024
• Mol file: 7509-13-9.mol

Synonyms:1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid;7509-13-9;1-oxo-2H-isoquinoline-3-carboxylic acid;1-Oxo-1,2-dihydro-isoquinoline-3-carboxylic acid;MFCD01845162;isoquinolonic acid;NSC131339;1-isoquinolonecarboxylic acid;SCHEMBL2815600;Isocarbostyril-3-carboxylic acid;DTXSID00299558;HMS1701M05;Isocarbostyril -3- carboxylic acid;AC6743;hydroxyisoquinoline-3-carboxylic acid;NSC407253;AKOS000122853;AKOS008967592;CCG-195919;NSC 131339;NSC 407253;NSC-131339;NSC-407253;BS-13903;SY029385;CS-0137853;EN300-12373;1-Oxo-1,2-dihydroisoquinoline-3-carboxylicacid;1,2-Dihydro-1-oxoisoquinoline-3-carboxylic acid;A865745;Z57035552;F3207-0037;1-oxo-1,2-dihydro-isoquinoline-3-carboxylic acid, AldrichCPR

Chemical Property of 1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.27E-09mmHg at 25°C
• Boiling Point: 469.7°C at 760 mmHg
• Flash Point: 237.8°C
• PSA: 70.16000
• Density: 1.429g/cm³
• LogP: 1.22630
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.042593085
• Heavy Atom Count: 14
• Complexity: 309

Purity/Quality:

97% ^*data from raw suppliers

1-oxo-1,2-dihydroisoquinoline-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=C(NC2=O)C(=O)O

Technology Process of 1-Oxo-1,2-dihydroisoquinoline-3-carboxylic acid

There total 18 articles about 1-Oxo-1,2-dihydroisoquinoline-3-carboxylic 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: 80.0%

methyl 1-oxo-1,2-dihydroisoquinoline-3-carboxylate (69454-42-8) → 1-Oxo-2H-isoquinoline-3-carboxylic acid (7509-13-9)

Guidance literature:

With lithium hydroxide; In 1,4-dioxane; at 20 ℃; for 1h;

DOI:10.1021/cc100091h

Reference yield: 57.0%

2-((Z)-2-Benzyloxycarbonylamino-2-carboxy-vinyl)-benzoic acid → 1-Oxo-2H-isoquinoline-3-carboxylic acid (7509-13-9)

Guidance literature:

With trifluorormethanesulfonic acid; trifluoroacetic acid; for 0.25h; Ambient temperature;

DOI:10.1080/00397919808004929

Reference yield:

1-oxo-1H-isochromene-3-carboxylic acid (2289-03-4) → 1-Oxo-2H-isoquinoline-3-carboxylic acid (7509-13-9)

Guidance literature:

1-oxo-1H-isochromene-3-carboxylic acid; With ammonia; In methanol; at 20 ℃;

With hydrogenchloride; In 1,4-dioxane; at 20 ℃;

upstream raw materials:

1-oxo-1H-isochromene-3-carboxylic acid

1-oxo-1H-isothiochromene-3-carboxylic acid

1-hydroxy-isoquinolin-3-orthocarboxylic acid trimethyl ester

1-hydroxy-isoquinoline-3,4-dicarboxylic acid-4-ethyl ester

Downstream raw materials:

isoquinoline

ethyl 1-hydroxyisoquinoline-3-carboxylate

1-hydroxyisoquinoline

N-benzyl-1-oxo-1,2-dihydroisoquinoline-3-carboxamide