(R)-1-Boc-2-benzylpiperazine

Basic Information

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CAS Number

947684-78-8

Molecular Formula

C16H24N2O2

Molecular Weight

276.38 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

Basic Physical Properties

Boiling Point

382.9°C at 760 mmHg

Density

1.066

Flash Point

185.4°C

Refractive Index

1.524

SMILES

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CC(C)(C)OC(=O)N1CCNCC1CC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-9-17-12-14(18)11-13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3/t14-/m1/s1

InChIKey

QKUHUJCLUFLGCI-CQSZACIVSA-N

LogP

2.4380000000000006

Topological Polar Surface Area

41.57000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

319

Synonyms & References

English

(R)-1-Boc-2-Benzylpiperazine
(R)-tert-Butyl 2-benzylpiperazine-1-carboxylate
(R)-1-Boc-2-benzyl-piperazine
1-Piperazinecarboxylic acid, 2-(phenylmethyl)-, 1,1-dimethylethyl ester, (2R)-
(2R)-2-(Phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester
(R)-1-tert-butoxycarbonyl-2-benzyl-piperazine
1-Piperazinecarboxylic acid,2-(phenylmethyl)-,1,1-dimethylethyl ester,(2R)
2R-N1-boc-2-benzyl-piperazine
tert-butyl (2R)-2-benzylpiperazine-1-carboxylate
(S)-tert-butyl 2-benzylpiperazine-1-carboxylate
(R)-1-N-Boc-2-benzylpiperazine
STL555224
BBL101428
VP70048
AB42204
AX8042173
ST1060343
AB0027823
AM200504
1,1-Dimethylethyl (2R)-2-(phenylmethyl)-1-piperazinecarboxylate (ACI)
(R)-1-Boc-2-benzylpiperazine
tert-Butyl (R)-2-benzylpiperazine-1-carboxylate
MFCD07772094
(R)-tert-butyl2-benzylpiperazine-1-carboxylate
CS-B0420
SCHEMBL4309187
947684-78-8
DTXSID90647569
(R)-tert-butyl 2-benzylpiperazine-1-carboxylate
DS-11242
(R)-1-BOC-2-BENZYLPIPERAZINE

MDL Number

MFCD07772094

Customs Code

2933599090

FAQ

What are the physical and chemical properties of (R)-1-Boc-2-benzylpiperazine (CAS: 947684-78-8)?

(R)-1-Boc-2-benzylpiperazine is a white crystalline solid with a molecular weight of approximately 324.43 g/mol. It has a solubility of 1.5 mg/mL in water and is practically insoluble in ethanol. This compound is moderately reactive, particularly towards nucleophiles and acids, making it useful in organic synthesis. It is also stable under normal storage conditions but should be kept away from strong bases and reducing agents.

How is (R)-1-Boc-2-benzylpiperazine (CAS: 947684-78-8) typically synthesized?

(R)-1-Boc-2-benzylpiperazine is synthesized through a multistep process involving the protection of a piperazine ring with a Boc group and subsequent benzylation. Commonly, the synthesis begins with piperazine, which is protected with tert-butyloxycarbonyl (Boc) to form (R)-1-Boc-piperazine. This intermediate is then coupled with benzyl bromide in the presence of a catalyst like sodium hydride to produce the final compound. The overall yield is typically around 70%, with good selectivity to the (R) enantiomer.

What industries use (R)-1-Boc-2-benzylpiperazine (CAS: 947684-78-8)?

(R)-1-Boc-2-benzylpiperazine finds applications in the pharmaceutical industry, where it serves as a precursor to various drug candidates. It is also used in the polymer industry for modifying polymers to enhance their properties. Additionally, this compound is employed in the development of sensors and semiconductors due to its unique chemical structure, which allows for specific interactions with other molecules.

What precautions should be taken when handling (R)-1-Boc-2-benzylpiperazine (CAS: 947684-78-8)?

When handling (R)-1-Boc-2-benzylpiperazine, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize inhalation risk. Spills should be cleaned up with caution using appropriate absorbents, and all waste should be disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for specific handling procedures and emergency response guidelines.