4-Methyl 1-(2-methyl-2-propanyl) 1,4-piperidinedicarboxylate

Basic Information

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CAS Number

124443-68-1

Molecular Formula

C12H21NO4

Molecular Weight

243.3 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

Colorless to Yellow Liquid

Melting Point

33.0 to 37.0 deg-C

Boiling Point

307.4°C at 760 mmHg

Flash Point

139.7°

Refractive Index

1.463

SMILES

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CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC

InChI

InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-5-9(6-8-13)10(14)16-4/h9H,5-8H2,1-4H3

InChIKey

PTZNCCIULVXFIJ-UHFFFAOYSA-N

LogP

1.8064999999999998

Topological Polar Surface Area

55.84 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

287

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

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

N-Boc-Isonipecotic acid methyl ester
DTXSID20327847
NSC693923
1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate
AKOS005071387
AM20080183
CHEMBL2003081
SB10787
FT-0601244
methyl 1-boc-piperidine-4-carboxylate
Methyl 1-(tert-butoxycarbonyl)piperidine-4-carboxylate
PB21176
1-(1,1-dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate
methyl 1-tert-butoxycarbonylpiperidine-4-carboxylate
9W-0607
methyl (1-boc-piperidin-4-yl)carboxylate
1-(tert-Butyl) 4-methyl piperidine-1,4-dicarboxylate
1-t-Butyl 4-methyl piperidine-1,4-dicarboxylate
piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-methyl ester
SCHEMBL57231
1-Boc-4-piperidinecarboxylic Acid Methyl Ester
J-505142
TERT-BUTYL METHYL PIPERIDINE-1,4-DICARBOXYLATE
tert-butyl 4-methoxycarbonylpiperidine-1-carboxylate
CS-W004331
EN300-23880
1-N-Boc-4-piperidinecarboxylic acid methyl ester
SY002284
Methyl N-Boc-4-piperidinecarboxylate
N-t-butoxycarbonyl isonipecotic acid methyl ester
1-(tert-butoxycarbonyl)piperidin-4-carboxylic acid methyl ester

MDL Number

MFCD02183584

Customs Code

2933399090

FAQ

What regulatory guidelines apply to 4-Methyl 1-(2-methyl-2-propanyl) 1,4-piperidinedicarboxylate (CAS: 124443-68-1)?

4-Methyl 1-(2-methyl-2-propanyl) 1,4-piperidinedicarboxylate (CAS: 124443-68-1) is regulated under the Globally Harmonized System (GHS) for classification and labeling of chemicals. It is also subject to REACH regulations in the European Union, which require registration, evaluation, authorization, and restriction of chemicals. In the U.S., it may be regulated by the FDA for its intended use and by the EPA for environmental and safety concerns. Proper documentation and compliance with local, national, and international regulations are essential for handling and using this compound.

Are there alternatives to 4-Methyl 1-(2-methyl-2-propanyl) 1,4-piperidinedicarboxylate in synthesis?

While 4-Methyl 1-(2-methyl-2-propanyl) 1,4-piperidinedicarboxylate is a specific reagent used in various chemical syntheses, there are alternatives such as other piperidinedicarboxylates or related compounds. Common substitution includes using simpler carboxylic acid derivatives or other functionalized piperidines. These alternatives can offer similar reactivity and functionality, making them viable options depending on the specific synthesis requirements.

What is the market or research trend for 4-Methyl 1-(2-methyl-2-propanyl) 1,4-piperidinedicarboxylate?

The market for 4-Methyl 1-(2-methyl-2-propanyl) 1,4-piperidinedicarboxylate (CAS: 124443-68-1) is driven by its applications in pharmaceuticals, agrochemicals, and fine chemicals. Research trends focus on its use in developing novel drug candidates and as intermediates in complex chemical syntheses. Market analysis indicates increasing demand due to its unique chemical properties, though price fluctuations may impact commercial availability. Emerging research into its potential in biocatalysis and sustainable chemistry is also gaining interest.

How should waste containing 4-Methyl 1-(2-methyl-2-propanyl) 1,4-piperidinedicarboxylate (CAS: 124443-68-1) be handled?

Waste containing 4-Methyl 1-(2-methyl-2-propanyl) 1,4-piperidinedicarboxylate (CAS: 124443-68-1) should be collected and stored in appropriate containers to prevent spills or leaks. Incineration is a common method for waste disposal, provided it is done in an incinerator with adequate pollution control measures. Alternatively, professional waste disposal services should be utilized to ensure the waste is handled safely and in compliance with environmental regulations. Proper labeling and documentation of the waste are crucial to ensure safe disposal and environmental protection.