(R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester

Base Information

• Chemical Name: (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester
• CAS No.: 438631-77-7
• Molecular Formula: C11H20N2O4
• Molecular Weight: 244.291
• Hs Code.: 2933599090
• European Community (EC) Number: 823-090-0
• DSSTox Substance ID: DTXSID90424918
• Wikidata: Q72450371
• Mol file: 438631-77-7.mol

Synonyms:438631-77-7;(R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester;(r)-1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate;Methyl (R)-1-N-Boc-piperazine-3-carboxylate;(r)-1-n-boc-piperazine-3-carboxylic acid methyl ester;1-tert-butyl 3-methyl (3r)-piperazine-1,3-dicarboxylate;1-O-tert-butyl 3-O-methyl (3R)-piperazine-1,3-dicarboxylate;METHYL (R)-4-BOC-PIPERAZINE-2-CARBOXYLATE;MFCD04115325;(r)-piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester;(R)-1-N-BOC-3-PIPERAZINECARBOXYLIC ACID METHYL ESTER;1-(tert-butyl) 3-methyl (R)-piperazine-1,3-dicarboxylate;1-tert-butyl 3-methyl 1,3-piperazinedicarboxylate;SCHEMBL881661;DTXSID90424918;QUKAHFCVKNRRBU-MRVPVSSYSA-N;AMY37496;BCP28748;CS-D0195;BBL101385;STL555181;[(4-n-boc)piperazine(2r) cooh]-ome;AKOS005258553;AC-2202;1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester, (3R)-;DS-11055;A7015;AU-004/43509642;Q-102956;(r)-1-tert-butyl3-methylpiperazine-1,3-dicarboxylate;(R)-N-Boc-piperazine-3-carboxylic acid methyl ester;Methyl (R)-4-Boc-piperazine-2-carboxylate

Chemical Property of (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester

Chemical Property:

• Boiling Point: 321.3 °C at 760 mmHg
• PKA: 6.45±0.40(Predicted)
• Flash Point: 148.1 °C
• PSA: 67.87000
• Density: 1.118 g/cm³
• LogP: 0.63500
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• 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% min ^*data from raw suppliers

Methyl(R)-4-Boc-piperazine-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCNC(C1)C(=O)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCN[C@H](C1)C(=O)OC

Technology Process of (R)-4-N-Boc-piperazine-2-carboxylic acid methyl ester

There total 1 articles about (R)-4-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: 79.8%

methanol (67-56-1) + (R)-piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester (173774-48-6) → (3R)-1,3-piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester (438631-77-7)

Guidance literature:

(R)-piperazine-1,2,4-tricarboxylic acid 1,4-di-tert-butyl ester; With pyridine; oxalyl dichloride; In tetrahydrofuran; at 0 - 30 ℃;

methanol; In tetrahydrofuran; at 40 - 50 ℃;

Reference yield: 13.0%

bromobenzene (108-86-1,52753-63-6) + (3R)-1,3-piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester (438631-77-7) → 1-tert-butyl 3-methyl (3R)-4-phenylpiperazine-1,3-dicarboxylate

Guidance literature:

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; caesium carbonate; ruphos; In toluene; at 110 ℃; for 18h; Sealed tube;

Reference yield:

(3R)-1,3-piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester (438631-77-7) + 4-chlorobenzaldehyde (104-88-1) → (R)-1-(4-chloro-benzyl)-piperazine-2-carboxylic acid methyl ester (954369-31-4)

Guidance literature:

(3R)-1,3-piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester; 4-chlorobenzaldehyde; With sodium tris(acetoxy)borohydride; In dichloromethane; at 20 ℃; for 16h;

With trifluoroacetic acid; In dichloromethane; for 4h;

With potassium carbonate; In water;

upstream raw materials:

methanol

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

Downstream raw materials:

(R)-1-(4-chloro-benzyl)-piperazine-2-carboxylic acid methyl ester

(R)-1-(4-chlorophenyl)-piperazine-2-carboxylic acid methyl ester

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