tert-Butyl (4-(piperazine-1-carbonyl)phenyl)carbamate

Base Information

• Chemical Name: tert-Butyl (4-(piperazine-1-carbonyl)phenyl)carbamate
• CAS No.: 478798-20-8
• Molecular Formula: C16H23N3O3
• Molecular Weight: 305.37
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID20474224
• Wikidata: Q82304085
• Mol file: 478798-20-8.mol

Synonyms:478798-20-8;tert-Butyl (4-(piperazine-1-carbonyl)phenyl)carbamate;[4-(PIPERAZINE-1-CARBONYL)-PHENYL]-CARBAMIC ACID TERT-BUTYL ESTER;Tert-butyl N-[4-(piperazine-1-carbonyl)phenyl]carbamate;tert-Butyl [4-(piperazine-1-carbonyl)phenyl]carbamate;DTXSID20474224;MFCD07371650;SB37308;CS-0332062;tert-Butyl(4-(piperazine-1-carbonyl)phenyl)carbamate;[4-(Piperazine-1-carbonyl)-phenyl]-carbamic acid t-butyl ester

Chemical Property of tert-Butyl (4-(piperazine-1-carbonyl)phenyl)carbamate

Chemical Property:

• PSA: 70.67000
• LogP: 2.41870
• Storage Temp.: 2-8°C
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 305.17394160
• Heavy Atom Count: 22
• Complexity: 392

Purity/Quality:

97% ^*data from raw suppliers

[4-(Piperazine-1-carbonyl)-phenyl]-carbamicacidtert-butylester 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCNCC2

Technology Process of tert-Butyl (4-(piperazine-1-carbonyl)phenyl)carbamate

There total 1 articles about tert-Butyl (4-(piperazine-1-carbonyl)phenyl)carbamate 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: 51.0%

piperazine (110-85-0) + 4-(N-tert-butoxycarbonyl)aminobenzoic acid (66493-39-8) → [4-(piperazine-1-carbonyl)-phenyl]-carbamic acid tert-butyl ester (478798-20-8)

Guidance literature:

4-(N-tert-butoxycarbonyl)aminobenzoic acid; With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

piperazine; In N,N-dimethyl-formamide; at 20 ℃; Further stages.;

DOI:10.1021/jo026217o

Reference yield: 75.0%

2-chloro-6,7-dimethoxyquinazolin-4-amine (23680-84-4) + [4-(piperazine-1-carbonyl)-phenyl]-carbamic acid tert-butyl ester (478798-20-8) → {4-[4-(4-amino-6,7-dimethoxy-4a,5-dihydro-quinazolin-2-yl)piperazine-1-carbonyl]-phenyl}-carbamic acid tert-butyl ester (90990-94-6)

Guidance literature:

In tert-butyl alcohol; for 24h; Heating;

DOI:10.1021/jo026217o

Reference yield:

[4-(piperazine-1-carbonyl)-phenyl]-carbamic acid tert-butyl ester (478798-20-8) → (4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(4-aminophenyl)methanone (90990-95-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 75 percent / 2-methyl-propan-2-ol / 24 h / Heating

2: 77 percent / aq. HCl / dioxane / 2 h / 0 °C

With hydrogenchloride; In 1,4-dioxane; tert-butyl alcohol;

DOI:10.1021/jo026217o

upstream raw materials:

piperazine

4-(N-tert-butoxycarbonyl)aminobenzoic acid

Downstream raw materials:

{4-[4-(4-amino-6,7-dimethoxy-4a,5-dihydro-quinazolin-2-yl)piperazine-1-carbonyl]-phenyl}-carbamic acid tert-butyl ester

(4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl)(4-aminophenyl)methanone

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