Benzyl (3S)-3-methyl-1-piperazinecarboxylate

Basic Information

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CAS Number

612493-87-5

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

Boiling Point

358°C at 760 mmHg

Density

1.100

Flash Point

178℃(352℉)(lit.)

Refractive Index

1.5365

SMILES

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CC1CN(CCN1)C(=O)OCC2=CC=CC=C2

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/t11-/m0/s1

InChIKey

JRPIQMPFKMFAOX-NSHDSACASA-N

LogP

1.6168999999999996

Topological Polar Surface Area

41.57000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

252

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

AC-30525
(S)-4-Cbz-2-methylpiperazine
AKOS015897938
4-CBZ-(S)-2-Methyl piperazine
MFCD04039319
(3S)-1-BENZYLOXYCARBONYL-3-METHYLPIPERAZINE
Benzyl (3S)-3-methyl-1-piperazinecarboxylate
AKOS015839984
(S)-1-Benzyloxycarbonyl-3-methylpiperazine
SCHEMBL2787453
(S)-1-Cbz-3-methyl-piperazine
benzyl (3S)-3-methylpiperazine-1-carboxylate
1-CBZ-(S)-3-METHYLPIPERAZINE
DTXSID10428837
(S)-benzyl 3-methylpiperazine-1-carboxylate;(S)-4-Cbz-2-methylpiperazine
(S)-1-Cbz-3-methylpiperazine
Y13510
1-benzyloxycarbonyl-(S)-3-methylpiperazine
(S)-benzyl3-methylpiperazine-1-carboxylate
(S)-benzyl 3-methylpiperazine-1-carboxylate
CS-0041747
A26366
BENZYL (S)-3-METHYLPIPERAZINE-1-CARBOXYLATE
612493-87-5
JRPIQMPFKMFAOX-NSHDSACASA-N
AMY33377
(S)-Benzyl 3-methylpiperazine-1-carboxylate
4-CBZ-(S)-2-METHYL PIPERAZINE
4-N-BENZOXYCARBONYL-2-(S)-METHYLPIPERAZINE
(S)-1-CARBOBENZYLOXY-3-METHYLPIPERAZINE
(S)-1-CARBOBENZYLOXYL-3-METHYLPIPERAZINE

MDL Number

MFCD04039319

FAQ

What regulatory guidelines apply to Benzyl (3S)-3-methyl-1-piperazinecarboxylate (CAS: 612493-87-5)?

Benzyl (3S)-3-methyl-1-piperazinecarboxylate (CAS: 612493-87-5) is subject to a variety of regulatory guidelines. Under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), it is categorized based on its potential health and environmental hazards. For research and industrial applications, it must comply with REACH regulations in the European Union, which requires notification of substances above 1 tonne per year. Additionally, the FDA and EPA may have specific requirements for its use in the United States, particularly concerning environmental release and safety in the workplace.

Are there alternatives to Benzyl (3S)-3-methyl-1-piperazinecarboxylate in synthesis (CAS: 612493-87-5)?

There are several alternatives to Benzyl (3S)-3-methyl-1-piperazinecarboxylate in synthesis (CAS: 612493-87-5). Common substitutes include benzyl (3R)-3-methyl-1-piperazinecarboxylate and other piperazine derivatives. These alternatives can be used depending on the specific reaction conditions and desired outcome. Synthesis can also be achieved using related compounds like benzyl piperidine carboxylate, which offer similar functionalities and can be synthesized through various routes.

What is the market or research trend for Benzyl (3S)-3-methyl-1-piperazinecarboxylate (CAS: 612493-87-5)?

The market for Benzyl (3S)-3-methyl-1-piperazinecarboxylate (CAS: 612493-87-5) is influenced by its application in pharmaceuticals and agrochemicals. Recent research trends have highlighted its use in drug discovery and development for treating various diseases. Market trends indicate an increase in demand due to its potential in novel therapeutic applications. Additionally, there is ongoing exploration of its role in sustainable agriculture, particularly in pest control and plant growth regulation.

How should waste containing Benzyl (3S)-3-methyl-1-piperazinecarboxylate (CAS: 612493-87-5) be handled?

Waste containing Benzyl (3S)-3-methyl-1-piperazinecarboxylate (CAS: 612493-87-5) should be handled with caution to ensure environmental and safety compliance. Waste liquids should be collected in appropriate containers and stored in a cool, well-ventilated area, away from incompatible materials. Incineration is a common disposal method, but professional waste disposal services are recommended to ensure proper handling and disposal. Environmental protection measures include monitoring for leaks and ensuring that waste does not contaminate soil or water sources.