(S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid

Base Information

• Chemical Name: (S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid
• CAS No.: 1034574-30-5
• Molecular Formula: C25H28N2O6
• Molecular Weight: 452.19
• DSSTox Substance ID: DTXSID10427825
• Wikidata: Q72500088
• Mol file: 1034574-30-5.mol

Synonyms:1034574-30-5;(S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid;(S)-1-N-Boc-4-N-Fmoc-piperazine2-carboxylic acid;(s)-4-(((9h-fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid;(S)-1-N-Boc-4-N-Fmoc-piperazine 2-carboxylic acid;(2S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid;1-boc-4-fmoc-piperazine-2s-carboxylic acid;(2S)-1-[(tert-butoxy)carbonyl]-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazine-2-carboxylic acid;SCHEMBL13837003;DTXSID10427825;MFCD02179101;DS-13997;CS-0067496;A13009;1-boc-4-fmoc-piperazine-2-(s)-carboxylic acid;EN300-7420483;(S)-1-N-Boc-4-N-Fmoc-piperazine2-carboxylicacid;J-000970;Q-102942;(s)-4-fmoc-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid;(S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid, AldrichCPR;(s)-n1-t-butyloxycarbonyl-n4-(9-fluorenylmethyloxycarbonyl)-piperazinie-2-carboxylic acid;(s)-piperazine-1,2,4-tricarboxylic acid 1-tert-butyl ester 4-(9h-fluoren-9-ylmethyl) ester;1-tert-Butyl 4-(9->H-fluoren-9-ylmethyl)hydrogen(2S)-piperazine-1,2,4-tricarboxylate;1-tert-butyl 4-(9-h-fluoren-9-ylmethyl) hydrogen (2s)-piperazine-1,2,4-tricarboxylate;(S)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)-1-(tert-butoxycarbonyl)piperazine-2-carboxylic acid

Chemical Property of (S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid

Chemical Property:

• Boiling Point: 624.4 °C at 760 mmHg
• PKA: 3.68±0.20(Predicted)
• Flash Point: 331.4 °C
• PSA: 96.38000
• Density: 1.292 g/cm³
• LogP: 3.81720
• 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

(S)-1-N-Boc-4-N-fmoc-piperazine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

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
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCN(C[C@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
• Uses: (S)-1-N-Boc-4-N-fmoc-piperazine-2-carboxylic Acid is used as a reactant in the synthesis of piperazinecarboxamides as factor XIIa inhibitors.

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