Benzyl 3-methyl-1-piperazinecarboxylate

Basic Information

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CAS Number

84477-85-0

Molecular Formula

C13H18N2O2

Molecular Weight

234.3 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

SMILES

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CC1CN(CCN1)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H18N2O2/c1-11-9-15(8-7-14-11)13(16)17-10-12-5-3-2-4-6-12/h2-6,11,14H,7-10H2,1H3

InChIKey

JRPIQMPFKMFAOX-UHFFFAOYSA-N

LogP

1.6168999999999996

Topological Polar Surface Area

41.57000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

252

Synonyms & References

English

1-Cbz-3-Methylpiperazine
Benzyl 3-methylpiperazine-1-carboxylate
1-N-CBZ-3-methyl piperazine
1-Piperazinecarboxylic acid, 3-methyl-, phenylmethyl ester
1-benzyloxycarbonyl-3-methylpiperazine
1-CBZ-(S)-3-METHYLPIPERAZINE
3-methyl-1-piperazinecarboxylic acid,phenylmethyl ester
3-methyl-piperazine-1-carboxylic acid benzyl ester
(S)-1-Cbz-3-methylpiperazine
JRPIQMPFKMFAOX-UHFFFAOYSA-N
1-N-CBZ-3-METHYLPIPERAZINE
1-(Benzyloxycarbonyl)-3-methylpiperazine
AK112426
SY113316
SY033772
ST24046102

MDL Number

MFCD07367776

Customs Code

2933599090

FAQ

What are the physical and chemical properties of Benzyl 3-methyl-1-piperazinecarboxylate (CAS: 84477-85-0)?

Benzyl 3-methyl-1-piperazinecarboxylate is a crystalline compound with a molecular weight of approximately 247.33 g/mol. It has a melting point of around 63-65°C and is slightly soluble in water. It is reactive towards nucleophiles and can undergo ester hydrolysis. It is generally stable under normal conditions but should be stored in a cool, dry place away from direct sunlight.

How is Benzyl 3-methyl-1-piperazinecarboxylate (CAS: 84477-85-0) typically synthesized?

Benzyl 3-methyl-1-piperazinecarboxylate is usually synthesized through the esterification of 3-methyl-1-piperazinecarboxylic acid with benzyl alcohol in the presence of a catalytic amount of a strong acid such as sulfuric acid. The reaction is typically carried out at room temperature and the yield is around 70-80%. The reaction is selective and proceeds with good stereochemical control.

What industries use Benzyl 3-methyl-1-piperazinecarboxylate (CAS: 84477-85-0)?

Benzyl 3-methyl-1-piperazinecarboxylate is used primarily in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also used in the polymer industry as a stabilizer and in the electronic industry for sensor and semiconductor applications due to its functional groups and chemical properties.

What precautions should be taken when handling Benzyl 3-methyl-1-piperazinecarboxylate (CAS: 84477-85-0)?

When handling Benzyl 3-methyl-1-piperazinecarboxylate, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and flammable materials. In case of spill, it should be immediately contained and cleaned up using appropriate methods. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.