(S)-1-N-Boc-3-isopropylpiperazine

Base Information

• Chemical Name: (S)-1-N-Boc-3-isopropylpiperazine
• CAS No.: 475272-54-9
• Molecular Formula: C12H24 N2 O2
• Molecular Weight: 228.335
• Mol file: 475272-54-9.mol

Synonyms:(S)-1-Boc-3-isopropyl-piperazine;(R)-1-Boc-3-isopropyl-piperazine;tert-butyl (3S)-3-(propan-2-yl)piperazine-1-carboxylate;2-Methyl-2-propanyl (3S)-3-isopropyl-1-piperazinecarboxylate;1-piperazinecarboxylic acid, 3-(1-methylethyl)-, 1,1-dimethylethyl ester, (3S)-;

Chemical Property of (S)-1-N-Boc-3-isopropylpiperazine

Chemical Property:

• Vapor Pressure: 0.00127mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 298.4 °C at 760 mmHg
• PKA: 8.39±0.40(Predicted)
• Flash Point: 134.2 °C
• PSA: 41.57000
• Density: 0.98g/cm³
• LogP: 2.11800
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

98% ^*data from raw suppliers

(S)-1-Boc-3-Isopropylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of (S)-1-N-Boc-3-isopropylpiperazine

There total 1 articles about (S)-1-N-Boc-3-isopropylpiperazine 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:

C18H27N3O6S → (3S)-3-isopropylpiperazine-1-carboxylic acid tert-butyl ester (475272-54-9)

Guidance literature:

With Octanethiol; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 0.25h; regioselective reaction;

DOI:10.1021/jo900441s

Reference yield: 45.1%

(3S)-3-isopropylpiperazine-1-carboxylic acid tert-butyl ester (475272-54-9) + 4,4'-difluorobenzhydryl chloride (27064-94-4) → tert-butyl (S)-4-(bis(4-fluorophenyl)methyl)-3-isopropylpiperazine-1-carboxylate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 85 ℃;

Reference yield:

(3S)-3-isopropylpiperazine-1-carboxylic acid tert-butyl ester (475272-54-9) → (S)-methyl 4-(5-((S)-1-aminoethyl)-2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-1,3-oxazole-4-carbonyl)-2-isopropylpiperazine-1-carboxylate hydrochloride

Guidance literature:

Multi-step reaction with 4 steps

1.1: triethylamine / N,N-dimethyl-formamide / 0.83 h / 20 °C / Inert atmosphere; Sealed tube

1.2: 48 h / 80 °C

2.1: hydrogenchloride / dichloromethane; ethyl acetate / 1 h / 20 °C / Inert atmosphere

3.1: 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / dichloromethane / 8 h / 0 - 20 °C / Inert atmosphere

4.1: hydrogenchloride / dichloromethane; ethyl acetate / 1 h / 20 °C / Inert atmosphere

With hydrogenchloride; 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; In dichloromethane; ethyl acetate; N,N-dimethyl-formamide;

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