1-Benzyl 3-methyl 1,3-piperidinedicarboxylate

Basic Information

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CAS Number

174543-74-9

Molecular Formula

C15H19NO4

Molecular Weight

277.32 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

390.418 ℃ at 760 mmHg

Flash Point

189.918℃

SMILES

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COC(=O)C1CCCN(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H19NO4/c1-19-14(17)13-8-5-9-16(10-13)15(18)20-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3

InChIKey

BMBZPWAQRLLZBC-UHFFFAOYSA-N

LogP

2.2081999999999997

Topological Polar Surface Area

55.84 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

339

Synonyms & References

English

174543-74-9
1,3-Piperidinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester
Piperidine-1,3-dicarboxylic acid 1-benzyl 3-methyl ester
FT-0723978
J-521752
AS-33512
PB34169
PB12855
1-BENZYL 3-METHYL PIPERIDINE-1,3-DICARBOXYLATE
AKOS015902183
MFCD06795953
METHYL N-CBZ-3-PIPERIDINECARBOXYLATE
Piperidine-1,3-dicarboxylic acid 1-benzyl ester 3-methyl ester
Methyl 1-Cbz-piperidine-3-carboxylate, AldrichCPR
Methyl N-Cbz-piperidine-3-carboxylate
METHYL 1-CBZ-PIPERIDINE-3-CARBOXYLATE
1-BENZYL 3-METHYL (3R)-PIPERIDINE-1,3-DICARBOXYLATE
CS-0052618
AM100379
SCHEMBL1441223
ZGA54374
SY018510
1-BENZYL 3-METHYL (3S)-PIPERIDINE-1,3-DICARBOXYLATE
1-O-benzyl 3-O-methyl piperidine-1,3-dicarboxylate
PB11272
Methyl N-Cbz-3-piperidinecarboxylate
1,3-Piperidinedicarboxylicacid, 3-methyl 1-(phenylmethyl) ester
Methyl-N-CBZ-piperidine-3-carboxylate
Piperidine-1,3-Dicarboxylic Acid 1-Benzyl Ester 3-Methyl Ester
Methyl 1-Cbz-piperidine-3-carboxylate
1-benzyl 3-Methyl piperidine-1,3-dicarboxylate

MDL Number

MFCD06795953

Customs Code

2933399090

FAQ

What are the physical and chemical properties of 1-Benzyl 3-methyl 1,3-piperidinedicarboxylate (CAS: 174543-74-9)?

1-Benzyl 3-methyl 1,3-piperidinedicarboxylate (CAS: 174543-74-9) is a crystalline compound with a molecular weight of approximately 280.34 g/mol. It has low solubility in water but good solubility in organic solvents like ethanol and acetone. The compound is moderately reactive, showing good stability under normal conditions but can degrade under strong acidic or basic conditions. It has a melting point around 120-130°C.

How is 1-Benzyl 3-methyl 1,3-piperidinedicarboxylate (CAS: 174543-74-9) typically synthesized?

1-Benzyl 3-methyl 1,3-piperidinedicarboxylate (CAS: 174543-74-9) can be synthesized through a multi-step process involving the condensation of a methyl 1-benzyl 1,3-piperidine dicarboxylate intermediate with 3-methyl-1,3-piperidine. Commonly, this reaction is catalyzed by a Brønsted acid and proceeds with good yield and selectivity. The exact conditions may vary depending on the specific starting materials and reagents used.

What industries use 1-Benzyl 3-methyl 1,3-piperidinedicarboxylate (CAS: 174543-74-9)?

1-Benzyl 3-methyl 1,3-piperidinedicarboxylate (CAS: 174543-74-9) is primarily used in the pharmaceutical industry due to its potential as an intermediate in the synthesis of various medicinal compounds. It also finds applications in the polymer industry as a stabilizer and in the development of advanced materials. Additionally, it is explored in the sensor and semiconductor industries for its unique chemical properties.

What precautions should be taken when handling 1-Benzyl 3-methyl 1,3-piperidinedicarboxylate (CAS: 174543-74-9)?

When handling 1-Benzyl 3-methyl 1,3-piperidinedicarboxylate (CAS: 174543-74-9), it is essential to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Always work in a well-ventilated area or fume hood to minimize exposure to fumes. Spills should be cleaned up using appropriate absorbent materials and the area should be thoroughly washed with water. Refer to the safety data sheet (SDS) for detailed emergency procedures and storage guidelines.