3-Methyl 1-(2-methyl-2-propanyl) (3S)-1,3-piperazinedicarboxylate

Basic Information

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CAS Number

314741-39-4

Molecular Formula

C11H20N2O4

Molecular Weight

244.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

321.3°C at 760 mmHg

Density

1.118

Flash Point

148.1°C

Refractive Index

1.471

SMILES

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CC(C)(C)OC(=O)N1CCNC(C1)C(=O)OC

InChI

InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-5-12-8(7-13)9(14)16-4/h8,12H,5-7H2,1-4H3/t8-/m0/s1

InChIKey

QUKAHFCVKNRRBU-QMMMGPOBSA-N

LogP

0.3682999999999992

Topological Polar Surface Area

67.87 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

298

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

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

(s)-1-tert-butyl 3-methyl piperazine-1,3-dicarboxylate
1-(tert-butyl) 3-methyl (S)-piperazine-1,3-dicarboxylate
1-tert-butyl 3-methyl (3S)-1,3-piperazinedicarboxylate
1-tert-Butyl 3-methyl (3S)-1,3-piperazinedicarboxylate, AldrichCPR
(S)-1-N-BOC-PIPERAZINE-3-CARBOXYLIC ACID METHYL ESTER
AS-82681
Methyl (S)-1-N-Boc-piperazine-3-carboxylate
EN300-6498136
AMY4264
Methyl (S)-1-N-Boc-3-Piperazinecarboxylate
(S)-TERT-BUTYL METHYL PIPERAZINE-1,3-DICARBOXYLATE
1-(1,1-dimethylethyl) 3-methyl(3s)-1,3-piperazinedicarboxylate
314741-39-4
(s)-1-tert-butyl3-methylpiperazine-1,3-dicarboxylate
AKOS015912732
TS-00740
Methyl (S)-4-Boc-piperazine-2-carboxylate
SCHEMBL24940
1-O-tert-butyl 3-O-methyl (3S)-piperazine-1,3-dicarboxylate
DTXSID00363541
AC-2203
(S)-1-N-Boc-piperazine-3-carboxylic acid methyl ester;(S)-1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate
AKOS005258554
MFCD04115326
A5699
CS-D0653
(S)-Piperazine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
QUKAHFCVKNRRBU-QMMMGPOBSA-N
1-tert-butyl 3-methyl (3S)-piperazine-1,3-dicarboxylate
[2s]-4-t-butoxycarbonyl-2-methoxycarbonylpiperazine
(S)-4-N-BOC-PIPERAZINE-2-CARBOXYLIC ACID METHYL ESTER

MDL Number

MFCD04115326

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 3-Methyl 1-(2-methyl-2-propanyl) (3S)-1,3-piperazinedicarboxylate (CAS: 314741-39-4)?

This compound falls under various regulatory guidelines, including GHS classification for its physical and health hazards. It is also subject to REACH regulations in the European Union, requiring suppliers to register the substance if it is manufactured or imported. In the USA, the FDA and EPA may have specific requirements for its use and disposal, especially if it is used in pharmaceuticals or chemicals regulated under environmental standards.

Are there alternatives to 3-Methyl 1-(2-methyl-2-propanyl) (3S)-1,3-piperazinedicarboxylate in synthesis?

Several alternatives can be used in the synthesis of this compound, such as other piperazinedicarboxylates with different substituents. For instance, 3-Methyl 1-(2-methyl-2-propanyl)piperazine-1,4-dicarboxylate or similar isomers can serve as effective substitutes, depending on the specific reaction conditions and desired properties.

What is the market or research trend for 3-Methyl 1-(2-methyl-2-propanyl) (3S)-1,3-piperazinedicarboxylate?

The market for this compound shows steady growth, driven by its applications in pharmaceuticals and as a building block in organic synthesis. Research trends indicate a focus on developing its use in new drug candidates and polymer synthesis. The compound’s unique properties make it a valuable intermediate in several industrial processes, leading to increased demand and ongoing research into its applications.

How should waste containing 3-Methyl 1-(2-methyl-2-propanyl) (3S)-1,3-piperazinedicarboxylate be handled?

Waste containing this compound should be collected in appropriate containers and stored away from ignition sources to prevent any potential fire hazards. It should be disposed of through professional waste disposal services that comply with local regulations. Environmental precautions include ensuring proper containment to prevent soil or water contamination. Safe incineration or other environmentally friendly disposal methods should be employed to ensure the compound is handled responsibly.