4-Methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid

Base Information

• Chemical Name: 4-Methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid
• CAS No.: 56661-82-6
• Molecular Formula: C₁₁H₉NO₃
• Molecular Weight: 203.197
• DSSTox Substance ID: DTXSID10530348
• Wikidata: Q82401420

Synonyms:56661-82-6;4-Methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid;4-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid;DTXSID10530348;AKOS022647422;EN300-269425;4-Methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylicacid;Z1508928982

Chemical Property of 4-Methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid

Chemical Property:

• Boiling Point: 460.2±45.0 °C(Predicted)
• PSA: 70.42000
• Density: 1.351±0.06 g/cm3(Predicted)
• LogP: 1.94700
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 203.058243149
• Heavy Atom Count: 15
• Complexity: 346

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=O)C2=CC=CC=C12)C(=O)O

Technology Process of 4-Methyl-1-oxo-1,2-dihydroisoquinoline-3-carboxylic acid

There total 12 articles about 4-Methyl-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: 99.5%

3-carbossi-4-metil-1,2-diidro-1-ossiisochinolina (89928-68-7) → 3-carbossi-4-metil-1,2-diidro-1-ossiisochinolina (56661-82-6)

Guidance literature:

With hydrogenchloride; In water; for 3.5h; Heating;

Reference yield: 98.0%

acido 3-carbossi-4-metilisocumarinico (56661-74-6) → 3-carbossi-4-metil-1,2-diidro-1-ossiisochinolina (56661-82-6)

Guidance literature:

With ammonium hydroxide; for 12h; Ambient temperature;

Reference yield: 47.0%

methyl 4-methyl-1-oxo-1H-isochromene-3-carboxylate (89928-67-6) → 3-carbossi-4-metil-1,2-diidro-1-ossiisochinolina (56661-82-6) + 3-carbossi-4-metil-1,2-diidro-1-ossiisochinolina (89928-68-7)

Guidance literature:

With ammonium hydroxide; for 264h; Ambient temperature;

upstream raw materials:

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

2-acetyl-benzoic acid

2-[1-(4-oxo-2-thioxo-thiazolidin-5-yliden)-ethyl]-benzoic acid

acido 3-carbossi-4-metilisocumarinico

Downstream raw materials:

4-methyl-isoquinolin-1-ol

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