2(1H)-Isoquinolinecarboxylic acid, 5-formyl-3,4-dihydro-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: 2(1H)-Isoquinolinecarboxylic acid, 5-formyl-3,4-dihydro-, 1,1-dimethylethyl ester
• CAS No.: 441065-33-4
• Molecular Formula: C₁₅H₁₉NO₃
• Molecular Weight: 261.321

Synonyms:tert-butyl 5-formyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate;TERT-BUTYL-5-FORMYL-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE;

Chemical Property of 2(1H)-Isoquinolinecarboxylic acid, 5-formyl-3,4-dihydro-, 1,1-dimethylethyl ester

Chemical Property:

• Boiling Point: 396.7±42.0 °C(Predicted)
• PSA: 46.61000
• Density: 1.155±0.06 g/cm3(Predicted)
• LogP: 2.73020

Purity/Quality:

99% ^*data from raw suppliers

2-N-Boc-5-formyl-3,4-dihydro-1H-isoquinoline 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2(1H)-Isoquinolinecarboxylic acid, 5-formyl-3,4-dihydro-, 1,1-dimethylethyl ester

There total 7 articles about 2(1H)-Isoquinolinecarboxylic acid, 5-formyl-3,4-dihydro-, 1,1-dimethylethyl ester 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: 88.0%

tert-butyl 5-cyano-3,4-dihydro-2(1H)-isoquinolinecarboxylate (601514-57-2) → 5-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (441065-33-4)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 ℃; for 2h;

DOI:10.1016/j.tet.2006.04.095

Reference yield: 30.0%

potassium (2-(tert-butoxycarbonylamino)ethyl) trifluoroborate salt + 2-bromoisophthalaldehyde (79839-49-9) → 5-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (441065-33-4)

Guidance literature:

potassium (2-(tert-butoxycarbonylamino)ethyl) trifluoroborate salt; 2-bromoisophthalaldehyde; With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; caesium carbonate; In water; toluene; at 80 ℃; for 16h; Sealed tube; Inert atmosphere;

With triethylsilane; boron trifluoride diethyl etherate; In dichloromethane; at -78 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.joc.1c02302

Reference yield:

4-morpholinecarboxaldehyde (4394-85-8) + 5-bromo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (215184-78-4) → 5-formyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (441065-33-4)

Guidance literature:

With tert.-butyl lithium; In diethyl ether;

upstream raw materials:

tert-butyl 5-cyano-3,4-dihydro-2(1H)-isoquinolinecarboxylate

1,2,3,4-tetrahydro-5-hydroxy-isoquinoline

di-tert-butyl dicarbonate

2-tert-butyloxycarbonyl-5-hydroxy-1,2,3,4-tetrahydroisoquinoline

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