4-(((9h-Fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

Base Information

• Chemical Name: 4-(((9h-Fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid
• CAS No.: 218278-58-1
• Molecular Formula: C₂₅H₂₈N₂O₆
• Molecular Weight: 452.507
• European Community (EC) Number: 672-410-3
• DSSTox Substance ID: DTXSID00373544
• ChEMBL ID: CHEMBL2143413
• Mol file: 218278-58-1.mol

Synonyms:218278-58-1;1-boc-4-fmoc-2-piperazinecarboxylic acid;N-1-Boc-N-4-Fmoc-2-piperazine carboxylic acid;4-(((9h-fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid;4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;n1-boc-n4-fmoc-piperazine-2-carboxylic acid;1-[(TERT-BUTOXY)CARBONYL]-4-{[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}PIPERAZINE-2-CARBOXYLIC ACID;4-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1-(tert-Butoxycarbonyl)piperazine-2-carboxylicacid;ANDROSTERONEACETATE;N-1-Boc-N-4-Fmoc-2-piperazinecarboxylicacid;MLS000877458;SCHEMBL656294;CHEMBL2143413;DTXSID00373544;HMS2209B03;BCP33984;MFCD01076217;AKOS015895722;AB11011;AC-6554;AS-38521;SMR000526275;A4674;CS-0171804;FT-0643996;FT-0652431;FT-0653818;EN300-1556207;Q-102945;N-1-Boc-N-4-Fmoc-2-Piperazine carboxylic acid, AldrichCPR;1-(tert-butoxycarbonyl)-4-[(9h-fluoren-9-ylmethoxy)carbonyl]-2-piperazinecarboxylic acid;1-(tert-Butoxycarbonyl)-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazine-2-carboxylic acid;piperazine-1,2,4-tricarboxylic acid 1-tert-butyl ester 4-(9h-fluoren-9-ylmethyl) ester;piperazine-1,2,4-tricarboxylic acid 1-tert-butyl ester 4-(9H-fluoren-9-ylmethyl)ester;(+/-)-Piperazine-1,2,4-tricarboxylic acid 1-tert-butyl ester 4-(9H-fluoren-9-ylmethyl) ester

Chemical Property of 4-(((9h-Fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.88E-16mmHg at 25°C
• Melting Point: 156-158 °C
• Boiling Point: 624.376 °C at 760 mmHg
• PKA: 3.68±0.20(Predicted)
• Flash Point: 331.411 °C
• PSA: 96.38000
• Density: 1.293 g/cm³
• LogP: 3.81720
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 452.19473662
• Heavy Atom Count: 33
• Complexity: 728

Purity/Quality:

97% ^*data from raw suppliers

N1-Boc-N4-Fmoc-piperazine-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-20/21/22
• Safety Statements: 26-36/37/39-22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Technology Process of 4-(((9h-Fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

There total 2 articles about 4-(((9h-Fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid 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:

→ (2R)-1-(4-Bromobenzenesulfonyl)-4-methanesulfonylpiperazine-2-[N-(2-tetrahydropyranyloxy)]carboxamide + (2R)-1-tert-Butoxycarbonyl-4-(9-fluorenylmethyloxycarbonyl)-2-piperazinecarboxylic acid (209593-18-0,218278-58-1)

Guidance literature:

Reference yield:

(2S)-1-{[(1,1-dimethylethyl)oxy]carbonyl}-2-piperazinecarboxylic acid (159532-59-9) + (fluorenylmethoxy)carbonyl chloride (28920-43-6) → (2S)-1-tert-butoxycarbonyl-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid (218278-58-1)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In 1,4-dioxane; water; at 20 ℃; for 6h; Cooling with ice;

Reference yield: 76.0%

(2S)-1-tert-butoxycarbonyl-4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylic acid (218278-58-1) + N-[6-(2-aminoethoxy)-2-methylpyrimidin-4-yl]-5-phenyl-thiazol-2-amine → O1-tert-butyl O4-(9H-fluoren-9-ylmethyl) (2S)-2-[2-[2-methyl-6-[(5-phenylthiazol-2-yl)amino]pyrimidin-4-yl]oxyethylcarbamoyl]piperazine-1,4-dicarboxylate

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 25 ℃;

upstream raw materials:

(2S)-1-{[(1,1-dimethylethyl)oxy]carbonyl}-2-piperazinecarboxylic acid

(fluorenylmethoxy)carbonyl chloride

Downstream raw materials:

4-(4-chloro-phenyl)-piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester