tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate

Base Information

• Chemical Name: tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate
• CAS No.: 444620-69-3
• Molecular Formula: C₁₈H₂₃N₃O₂
• Molecular Weight: 313.4
• Hs Code.: 2933990090
• Mol file: 444620-69-3.mol

Synonyms:4-(Isoquinolin-5-yl)piperazine-1-carboxylicacid tert-butyl ester;

Chemical Property of tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate

Chemical Property:

• Refractive Index: 1.594
• Boiling Point: 476.2 °C at 760 mmHg
• Flash Point: 241.8 °C
• PSA: 45.67000
• Density: 1.172 g/cm³
• LogP: 3.29480
• Storage Temp.: 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl4-(isoquinolin-5-yl)piperazine-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate

There total 5 articles about tert-butyl 4-(isoquinolin-5-yl)piperazine-1-carboxylate 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: 72.0%

5-bromoisoquinoline (34784-04-8) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → 4-Isoquinoline-5-yl-piperazine-1-carboxylic acid tert-butyl ester (444620-69-3)

Guidance literature:

With tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; at 80 ℃;

DOI:10.1016/j.bmcl.2005.04.077

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 5-(piperazin-1-yl)isoquinoline hydrochloride (209733-17-5) → 4-Isoquinoline-5-yl-piperazine-1-carboxylic acid tert-butyl ester (444620-69-3)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; Cooling with ice;

Reference yield:

isoquinoline (119-65-3) → 4-Isoquinoline-5-yl-piperazine-1-carboxylic acid tert-butyl ester (444620-69-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 52 percent / NBS; H₂SO₄ / -20 °C

2: 72 percent / NaO(t)Bu; BINAP; Pd₂(dba)3 / toluene / 80 °C

With N-Bromosuccinimide; tris(dibenzylideneacetone)dipalladium ⁽⁰⁾; sulfuric acid; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In toluene; 2: Buchwald-Hartwig reaction;

DOI:10.1016/j.bmcl.2005.04.077

upstream raw materials:

5-(piperazin-1-yl)isoquinoline hydrochloride

di-tert-butyl dicarbonate

5-bromoisoquinoline

1-t-Butoxycarbonylpiperazine

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