(S)-1-N-Boc-piperazine-3-carboxylic acid methyl ester

Base Information

• Chemical Name: (S)-1-N-Boc-piperazine-3-carboxylic acid methyl ester
• CAS No.: 314741-39-4
• Molecular Formula: C11H20N2O4
• Molecular Weight: 244.291
• Hs Code.: 2933599090
• European Community (EC) Number: 674-834-4
• DSSTox Substance ID: DTXSID00363541
• Wikidata: Q72450375
• Mol file: 314741-39-4.mol

Synonyms:314741-39-4;(S)-1-N-BOC-PIPERAZINE-3-CARBOXYLIC ACID METHYL ESTER;(s)-1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate;Methyl (S)-4-Boc-piperazine-2-carboxylate;(S)-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER;1-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylate;1-O-tert-butyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate;(S)-Piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester;MFCD04115326;1-(tert-butyl) 3-methyl (S)-piperazine-1,3-dicarboxylate;SCHEMBL24940;AMY4264;DTXSID00363541;CS-D0653;AKOS005258554;AKOS015912732;AC-2203;AS-82681;TS-00740;A5699;Methyl (S)-1-N-Boc-3-Piperazinecarboxylate;Methyl (S)-1-N-Boc-piperazine-3-carboxylate;EN300-6498136;(S)-N-Boc-3-piperazinecarboxylic acid methyl ester;[2s]-4-t-butoxycarbonyl-2-methoxycarbonylpiperazine;(s)-1-tert-butyl3-methylpiperazine-1,3-dicarboxylate;1-tert-butyl 3-methyl (3S)-1,3-piperazinedicarboxylate;(S)-TERT-BUTYL METHYL PIPERAZINE-1,3-DICARBOXYLATE;1-(1,1-dimethylethyl) 3-methyl(3s)-1,3-piperazinedicarboxylate;1-tert-Butyl 3-methyl (3S)-1,3-piperazinedicarboxylate, AldrichCPR;1,3-Piperazinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester, (3S)-;(S)-1-N-Boc-piperazine-3-carboxylic acid methyl ester;(S)-1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate

Chemical Property of (S)-1-N-Boc-piperazine-3-carboxylic acid methyl ester

Chemical Property:

• Vapor Pressure: 0.000301mmHg at 25°C
• Refractive Index: 1.471
• 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% ^*data from raw suppliers

Methyl(S)-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 (S)-1-N-Boc-piperazine-3-carboxylic acid methyl ester

There total 1 articles about (S)-1-N-Boc-piperazine-3-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: 89.0%

1-benzyl 4-(tert-butyl) 2-methyl (2S)-piperazine-1,2,4-tricarboxylate (314741-38-3,1211399-66-4) → O1-tert-butyl O3-methyl (3S)-piperazine-1,3-dicarboxylate (314741-39-4)

Guidance literature:

With hydrogen; palladium 10% on activated carbon; In methanol; at 20 ℃; for 3h;

Reference yield: 70.0%

O1-tert-butyl O3-methyl (3S)-piperazine-1,3-dicarboxylate (314741-39-4) + 2-((6-bromo-2-cyclopropylquinolin-4-yl)(ethyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile → 1-tert-butyl 3-methyl (S)-4-(4-((5-cyano-4-(4-fluorophenyl)thiazol-2-yl)(ethyl)amino)-2-cyclopropylquinolin-6-yl)piperazine-1,3-dicarboxylate

Guidance literature:

With methanesulfonato(2-dicyclohexylphosphino-2’,6’-di-i-propoxy-1,1’-biphenyl)(2’-methylamino-1,1‘-biphenyl-2-yl)palladium(II); caesium carbonate; In toluene; at 100 ℃; for 16h; Inert atmosphere;

Reference yield: 66.0%

O1-tert-butyl O3-methyl (3S)-piperazine-1,3-dicarboxylate (314741-39-4) + 2-((6-bromo-8-fluoro-2-isopropylquinolin-4-yl)(ethyl)amino)-4-(4-fluorophenyl)thiazole-5-carbonitrile → 1-(tert-butyl) 3-methyl (S)-4-(4-((5-cyano-4-(4-fluorophenyl)thiazole-2-yl)(ethyl)amino)-8-fluoro-2-isopropylquinolin-6-yl)piperazine-1,3-dicarboxylate

Guidance literature:

With methanesulfonato(2-dicyclohexylphosphino-2’,6’-di-i-propoxy-1,1’-biphenyl)(2’-methylamino-1,1‘-biphenyl-2-yl)palladium(II); caesium carbonate; In toluene; at 110 ℃; for 16h; Inert atmosphere;

upstream raw materials:

1-benzyl 4-(tert-butyl) 2-methyl (2S)-piperazine-1,2,4-tricarboxylate

Downstream raw materials:

(3S)-3-(hydroxymethyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester

1-tert-butyl 3-methyl (3S)-4-({[(1S,2R)-2-phenylcyclopropyl]amino}carbonyl)-1,3-piperazinedicarboxylate

Refernces

• 1、 -. "QUINOLINE DERIVATIVES AS ANTIBACTERIALS". Page 12. . Retrieved 2010/02/06.