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

Basic Information

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CAS Number

1034574-30-5

Molecular Formula

C25H28N2O6

Molecular Weight

452.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

141.5-142.5 °C

Boiling Point

624.4°C at 760 mmHg

SMILES

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CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-26(14-21(27)22(28)29)23(30)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)/t21-/m0/s1

InChIKey

ZVHNNCSUTNWKFC-NRFANRHFSA-N

LogP

3.9414000000000025

Topological Polar Surface Area

96.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

728

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(S)-1-N-Boc-4-N-Fmoc-piperazine2-carboxylic acid
(2s)-1,2,4-piperazinetricarboxylic acid 1-(tert-butyl) 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-tricarboxyl
BOC-S-PIPAZ(FMOC)-OH
1-BOC-4-FMOC-PIPERAZINE-2-(S)-CARBOXYLIC ACID
(S)-1-N-BOC-4-N-FMOC-PIPERAZINE-2-CARBOXYLIC ACID
(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
(S)-4-(((9H-FLUOREN-9-YL)METHOXY)CARBONYL)-1-(TERT-BUTOXYCARBONYL)PIPERAZINE-2-CARBOXYLIC ACID
(S)-1-Boc-4-FMoc-piperazine-2-carboxylic acid
REF DUPL: (S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid
(S)-4-FMOC-1-(TERT-BUTOXYCARBONYL)PIPERAZINE-2-CARBOXYLIC ACID
1,2,4-Piperazinetricarboxylic acid, 1-(1,1-dimethylethyl) 4-(9H-fluoren-9-ylmethyl) ester, (2S)-
(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
AB11009
FCH3616521
D
A13009
1-boc-4-fmoc-piperazine-2-(s)-carboxylic acid
1-boc-4-fmoc-piperazine-2s-carboxylic acid
(S)-1-N-Boc-4-N-Fmoc-piperazine2-carboxylicacid
(S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid, AldrichCPR
(S)-1-Boc-4-Fmoc-piperazine-2-carboxylic acid
(s)-piperazine-1,2,4-tricarboxylic acid 1-tert-butyl ester 4-(9h-fluoren-9-ylmethyl) ester
DTXSID10427825
AKOS022177620
Q-102942
EN300-7420483
MFCD02179101

MDL Number

MFCD02179101

FAQ

What are the physical and chemical properties of (S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid (CAS: 1034574-30-5)?

(S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid is a white crystalline solid with a molecular weight of approximately 535.56 g/mol. It has a pKa of about 6.5 and is soluble in common organic solvents like DMSO and DMF but less soluble in water. This compound is known for its reactivity in ester formation and amide bond formation, making it valuable in peptide synthesis.

How is (S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid (CAS: 1034574-30-5) typically synthesized?

(S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid is synthesized through a multi-step process, typically starting with piperazine-2-carboxylic acid. The key steps involve the substitution of the amine groups and the introduction of protecting groups. This synthesis often requires the use of reagents like tert-butyloxycarbonyl (Boc) and fluorenylmethyloxycarbonyl (Fmoc) groups, which are common in peptide chemistry.

What industries use (S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid (CAS: 1034574-30-5)?

(S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid finds applications in the pharmaceutical industry, where it serves as a building block for peptide synthesis. It is also utilized in the production of polymers and sensors, due to its unique chemical properties. In the semiconductor industry, it may be used in the development of specific components requiring high purity.

What precautions should be taken when handling (S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid (CAS: 1034574-30-5)?

When handling (S)-1-N-Boc-4-N-Fmoc-piperazine-2-carboxylic acid, it is essential to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a lab coat. This compound should be stored in a cool, dry place and kept away from heat and open flames. In case of a spill, it should be cleaned up using appropriate methods, and the material safety data sheet (MSDS) should be consulted for specific guidelines.