Tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate

Base Information

• Chemical Name: Tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate
• CAS No.: 164331-38-8
• Molecular Formula: C10H20 N2 O4 S
• Molecular Weight: 264.346
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID60403715
• Nikkaji Number: J2.549.078I
• Wikidata: Q82207465
• Mol file: 164331-38-8.mol

Synonyms:164331-38-8;tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate;Boc-4-methylsulfonyl-piperazine;Tert-butyl 4-methylsulfonylpiperazine-1-carboxylate;TERT-BUTYL 4-METHANESULFONYLPIPERAZINE-1-CARBOXYLATE;1-Piperazinecarboxylic acid, 4-(methylsulfonyl)-, 1,1-dimethylethyl ester;1-(tert-butoxycarbonyl)-4-methanesulfonylpiperazine;SCHEMBL56379;tert-butyl 4-(methylsulfonyl)piperazinecarboxylate;tert-butyl4-(methylsulfonyl)piperazine-1-carboxylate;DTXSID60403715;KEVJRVHXORTWTR-UHFFFAOYSA-N;4-Methylsulfonylpiperazine-1-carboxylic acid tert-butyl ester;1-Boc-4-Methanesulfonyl-piperazine;CS-M1564;MFCD03942726;AKOS003292195;CS-14368;FT-0727167;1-tert-Butoxycarbonyl-4-methanesulfonylpiperazine;N-tert-butoxycarbonyl-N'-methylsulfonylpiperazine;1-(t-Butoxycarbonyl)-4-methanesulphonylpiperazine;A928459;t-Butyl 4-(methylsulfonyl)piperazine-1-carboxylate;tert-butyl 4-(methylsulfonyl)-piperazinecarboxylate;1-(tert-Butoxycarbonyl)-4-(methanesulfonyl)piperazine;N-tert-butyloxycarbonyl-N'-methanesulfonyl-piperazine;tert-butyl 4-(methylsulphonyl)piperazine-1-carboxylate;tert-butyl-4-(methylsulfonyl)piperazine-1-carboxylate;1,1-dimethylethyl 4-(methylsulfonyl)-1-piperazinecarboxylate;4-methanesulfonyl-piperazine-1-carboxylic acid tert-butyl ester

Chemical Property of Tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate

Chemical Property:

• Melting Point: 110-111 °C
• Boiling Point: 369.7±52.0 °C(Predicted)
• PKA: -0.95±0.70(Predicted)
• PSA: 75.30000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 1.45530
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 264.11437830
• Heavy Atom Count: 17
• Complexity: 372

Purity/Quality:

NLT 98% ^*data from raw suppliers

tert-Butyl4-(Methylsulfonyl)piperazine-1-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C

Technology Process of Tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate

There total 4 articles about Tert-butyl 4-(methylsulfonyl)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: 98.6%

methanesulfonyl chloride (124-63-0) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate (164331-38-8)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield:

magnesium sulfate (7487-88-9) + methanesulfonyl chloride (124-63-0) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate (164331-38-8)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 4-(methylsulfonyl)piperazine-1-carboxylate (164331-38-8)

Guidance literature:

Multi-step reaction with 2 steps

1: dichloromethane / 0 - 20 °C

2: triethylamine; dmap / dichloromethane / 0 - 20 °C

With dmap; triethylamine; In dichloromethane;

upstream raw materials:

methanesulfonyl chloride

1-t-Butoxycarbonylpiperazine

magnesium sulfate

di-tert-butyl dicarbonate

Downstream raw materials:

4-(2-chloro-6-((4-(methylsulfonyl)piperazin-1-yl)methyl)thieno[3,2-d]-pyrimidin-4-yl)morpholine

2-(4-methanesulfonyl-piperazin-1-yl)-1-{4-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-ethanone

C₁₆H₂₃ClN₂O₄S

1-t-Butoxycarbonylpiperazine

Refernces

• 1、 -. "2-PHENYLIMIDAZO[4,5-B]PYRIDIN-7-AMINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY". Page/Page column 88. . Retrieved 2018/03/26.
• 2、 -. "NOVEL BETULINIC SUBSTITUTED AMIDE DERIVATIVES AS HIV INHIBITORS". Page/Page column 43. . Retrieved 2017/02/24.