2(1H)-ISOQUINOLINECARBOXYLIC ACID, 7-BROMO-3,4-DIHYDRO-, PHENYLMETHYL ESTER

Base Information

• Chemical Name: 2(1H)-ISOQUINOLINECARBOXYLIC ACID, 7-BROMO-3,4-DIHYDRO-, PHENYLMETHYL ESTER
• CAS No.: 625127-09-5
• Molecular Formula: C17H16BrNO2
• Molecular Weight: 346.224
• Hs Code.: 2933499090
• Mol file: 625127-09-5.mol

Synonyms:2(1H)-ISOQUINOLINECARBOXYLIC ACID, 7-BROMO-3,4-DIHYDRO-, PHENYLMETHYL ESTER

Chemical Property of 2(1H)-ISOQUINOLINECARBOXYLIC ACID, 7-BROMO-3,4-DIHYDRO-, PHENYLMETHYL ESTER

Chemical Property:

• PSA: 29.54000
• LogP: 4.08190

Purity/Quality:

99%min ^*data from raw suppliers

Benzyl7-bromo-3,4-dihydroisoquinoline-2(1h)-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2(1H)-ISOQUINOLINECARBOXYLIC ACID, 7-BROMO-3,4-DIHYDRO-, PHENYLMETHYL ESTER

There total 2 articles about 2(1H)-ISOQUINOLINECARBOXYLIC ACID, 7-BROMO-3,4-DIHYDRO-, PHENYLMETHYL 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: 98.0%

7-bromo-1,2,3,4-tetrahydroisoquinoline (17680-55-6) + benzyl chloroformate (501-53-1,94274-21-2) → benzyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (625127-09-5)

Guidance literature:

7-bromo-1,2,3,4-tetrahydroisoquinoline; benzyl chloroformate; In tetrahydrofuran; at 20 ℃; for 5h;

With N,N-dimethylethylenediamine; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield: 76.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + benzyl N-[2-(4-bromophenyl)ethyl]carbamate (191170-76-0) → benzyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (625127-09-5)

Guidance literature:

With sulfuric acid; acetic acid; at 0 ℃; for 0.166667h;

Reference yield: 100.0%

benzyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate (625127-09-5) + 3-Diethylboranylpyridine (89878-14-8) → C22H20N2O2 (625127-14-2)

Guidance literature:

With sodium carbonate; bis-triphenylphosphine-palladium(II) chloride; In methanol; water; toluene; at 80 ℃;

upstream raw materials:

7-bromo-1,2,3,4-tetrahydroisoquinoline

benzyl chloroformate

formaldehyd

benzyl N-[2-(4-bromophenyl)ethyl]carbamate

Downstream raw materials:

7-bromo-N-triphenylmethyl-1,2,3,4-tetrahydroisoquinoline

7-bromo-1,2,3,4-tetrahydroisoquinoline

C₂₂H₂₀N₂O₂

Refernces

• 1、 Linkens, Kathryn,Schmidt, Hayden R.,Sahn, James J.,Kruse, Andrew C.,Martin, Stephen F.. "Investigating isoindoline, tetrahydroisoquinoline, and tetrahydrobenzazepine scaffolds for their sigma receptor binding properties". supporting information. p. 557 - 567. Retrieved 2018/04/20.
• 2、 -. "SIGMA RECEPTOR BINDERS". Paragraph 0193; 0190. . Retrieved 2017/12/15.