Isoquinoline-3-carboxylic acid

Base Information

• Chemical Name: Isoquinoline-3-carboxylic acid
• CAS No.: 6624-49-3
• Molecular Formula: C10H7NO2
• Molecular Weight: 173.171
• Hs Code.: 2933499090
• Mol file: 6624-49-3.mol

Synonyms:3-Carboxyisoquinoline;3-Isoquinaldic acid;NSC 53385;Isoquinoline-3-carboxylic acid;

Chemical Property of Isoquinoline-3-carboxylic acid

Chemical Property:

• Vapor Pressure: 5.15E-06mmHg at 25°C
• Melting Point: 166-167°C
• Boiling Point: 366.4 °C at 760 mmHg
• PKA: 1.20±0.30(Predicted)
• Flash Point: 175.4 °C
• PSA: 50.19000
• Density: 1.339 g/cm³
• LogP: 1.93300
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Isoquinoline-3-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38-36
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Isoquinoline-3-carboxylic Acid is a reagent used in the synthesis of an anti-Trypanosoma agent, which acts as a minor groove binder affecting the biological activity.

Technology Process of Isoquinoline-3-carboxylic acid

There total 2 articles about Isoquinoline-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: 26.0%

(R,S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (67123-97-1) → isoquinoline (119-65-3) + isoquinoline-3-carboxylic acid (6624-49-3)

Guidance literature:

With diphenylselenium bis(trifluoroacetate); In 1,2-dimethoxyethane; Ambient temperature;

DOI:10.1021/ja00405a087

Reference yield:

p-nitrophenyl isoquinoline-3-carboxylate (143468-70-6) → isoquinoline-3-carboxylic acid (6624-49-3) + 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0)

Guidance literature:

With buffered hexadecyltrimethylammonium bromide; imidazole*Zn⁽²⁺⁾; at 25 ℃; Rate constant; a novel fluorescent probe for the study of acylation and deacylation steps in ester hydrolysis catalyzed by lipophilic imidazole*Zn⁽²⁺⁾ complexes in micelles;

DOI:10.1016/S0040-4039(00)74686-7

Reference yield: 100.0%

isoquinoline-3-carboxylic acid (6624-49-3) + C18H19F2NO2 (1398583-72-6) → methyl 3-({[(1R)-1-(2,4-difluorophenyl)propyl](isoquinolin-3-ylcarbonyl)amino}methyl)benzoate (1398584-52-5)

Guidance literature:

isoquinoline-3-carboxylic acid; With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; triethylamine; In dichloromethane; at 20 ℃; for 0.166667h;

C₁₈H₁₉F₂NO₂; In dichloromethane; at 20 ℃;

upstream raw materials:

(R,S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

p-nitrophenyl isoquinoline-3-carboxylate

Downstream raw materials:

isoquinoline-3(S)-carboxamide

(R,S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

isoquinoline-3-carboxylic acid pentafluorophenyl ester

Refernces

• 1、 Marino, J.P.,Larsen, Robert D.. "Diphenylselenium Bis(trifluoroacetate): A New Reagent for Biomimetic Oxidations of Amines and Amino Acids". . p. 4642 - 4643. Retrieved 2007/10/02.