(R)-1-N-Boc-piperazine-2-carboxylic acid methyl ester

Base Information

• Chemical Name: (R)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
• CAS No.: 252990-05-9
• Molecular Formula: C11H20N2O4
• Molecular Weight: 244.291
• Hs Code.: 2933599090
• European Community (EC) Number: 675-957-6
• DSSTox Substance ID: DTXSID80426587
• Wikidata: Q72450378
• Mol file: 252990-05-9.mol

Synonyms:252990-05-9;(R)-1-N-Boc-piperazine-2-carboxylic acid methyl ester;Methyl (R)-1-Boc-piperazine-2-carboxylate;(R)-N-Boc-piperazine-2-carboxylic acid methyl ester;(r)-1-tert-butyl 2-methyl piperazine-1,2-dicarboxylate;1-O-tert-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate;1-TERT-BUTYL 2-METHYL (2R)-PIPERAZINE-1,2-DICARBOXYLATE;MFCD04115327;(R)-Piperazine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester;1-(tert-butyl) 2-methyl (R)-piperazine-1,2-dicarboxylate;SCHEMBL6350612;DTXSID80426587;BRXKHIPPSTYCKO-MRVPVSSYSA-N;CS-D0135;[(2-n-boc)piperazine(2r)cooh]-ome;BBL101381;STL555177;AKOS005258544;AKOS015897820;AC-2195;AS-18235;A5117;Methyl (R)-1-N-Boc-piperazine-2-carboxylate;pound R pound(c)-2-Chloro-3-phenylpropanoic acid;Q-102948;1-tert-butyl 2-methyl(2R)-piperazine-1,2-dicarboxylate;(R)-1-tert-butyl 2-methyl piperazine-1,2-dicarboxylate

Chemical Property of (R)-1-N-Boc-piperazine-2-carboxylic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.000301mmHg at 25°C
• Refractive Index: 1.471
• Boiling Point: 321.277 °C at 760 mmHg
• PKA: 7.25±0.40(Predicted)
• Flash Point: 148.103 °C
• PSA: 67.87000
• Density: 1.119 g/cm³
• LogP: 0.63500
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 244.14230712
• Heavy Atom Count: 17
• Complexity: 298

Purity/Quality:

99% ^*data from raw suppliers

R)-1-N-Boc-piperazine-2-carboxylic acid methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCNCC1C(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCNC[C@@H]1C(=O)OC

Technology Process of (R)-1-N-Boc-piperazine-2-carboxylic acid methyl ester

There total 1 articles about (R)-1-N-Boc-piperazine-2-carboxylic acid methyl 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: 48.0%

(2R)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid (278788-60-6) + diazomethyl-trimethyl-silane (18107-18-1) → 1-(tert-butyl) 2-methyl (R)-piperazine-1,2-dicarboxylate (252990-05-9)

Guidance literature:

In methanol; hexane; dichloromethane; at 20 ℃; for 16h;

Reference yield: 100.0%

1-(tert-butyl) 2-methyl (R)-piperazine-1,2-dicarboxylate (252990-05-9) → (R)-2-(hydroxymethyl)piperazine-1-carboxylic acid tert-butyl ester (169448-87-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at -40 - 20 ℃; for 1h;

Reference yield: 87.0%

7-bromo-2-(3-(5-chloro-2-fluorophenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridine + 1-(tert-butyl) 2-methyl (R)-piperazine-1,2-dicarboxylate (252990-05-9) → 1-(tert-butyl) 2-methyl (2R)-4-(6-(3-(5-chloro-2-fluorophenyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl)-1,5-naphthyridin-3-yl)piperazine-1,2-dicarboxylate

Guidance literature:

With (2-dicyclohexylphosphino-2’,6’-diisopropoxy-1,1‘-biphenyl)[2-(2’-methylamino-1,1’-biphenyl)]palladium(II) methanesulfonate; caesium carbonate; ruphos; In 1,4-dioxane; at 85 ℃; for 2.5h; Inert atmosphere;

upstream raw materials:

(2R)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

diazomethyl-trimethyl-silane

Downstream raw materials:

(R)-2-(hydroxymethyl)piperazine-1-carboxylic acid tert-butyl ester

(R)-tert-butyl 2-carbamoylpiperazine-1-carboxylate

(R)-piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester 2-methyl ester

Refernces