Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate

Basic Information

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CAS Number

885958-67-8

Molecular Formula

C14H19NO2

Molecular Weight

233.31 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

302.2 ℃ at 760 mmHg

Density

1.081

Flash Point

103.9°C

Refractive Index

1.532

SMILES

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CC1CN(CC1C(=O)OC)CC2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c1-11-8-15(10-13(11)14(16)17-2)9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3

InChIKey

KLQYKJMMAPSQCP-UHFFFAOYSA-N

LogP

1.9275

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

261

Synonyms & References

English

Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
1-Benzyl-4-methyl-pyrrolidine-3-carboxylic acid methyl ester
Methyl 1-benzyl-4-methyl-3-pyrrolidinecarboxylate
METHYL-1-BENZYL-4-METHYL-PYRROLIDINE-3-CARBOXYLATE
trans-methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
(3S,4S)-methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
KLQYKJMMAPSQCP-UHFFFAOYSA-N
NE31139
AK687408
SY096674
AM805733
X6740
958B678
methyl 1-benzyl-4-methyl-pyrrolidine-3-carboxylate
Methyl 4-methyl-1-(phenylmethyl)-3-pyrrolidinecarboxylate (ACI)
SB17954
MFCD22420558
rel-Methyl (3S,4S)-1-benzyl-4-methylpyrrolidine-3-carboxylate
885958-67-8
DB-078019
W10262
methyl (3RS,4RS)-1-benzyl-4-methyl-pyrrolidine-3-carboxylate
AKOS016011076
methyl trans-1-benzyl-4-methylpyrrolidine-3-carboxylate
SY099628
473914-76-0
CS-M0342
CS-14258
methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate
SB17952
MFCD05662801

MDL Number

MFCD05662801

FAQ

What are the physical and chemical properties of Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS: 885958-67-8)?

Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS: 885958-67-8) is a crystalline compound with a molecular weight of approximately 264.33 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and acetone. The compound is moderately reactive with basic compounds and shows good stability under normal conditions. It is typically stored at room temperature and is not flammable.

How is Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS: 885958-67-8) typically synthesized?

Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS: 885958-67-8) is commonly synthesized via the condensation of 1-benzyl-4-methylpyrrolidine-3-carboxylic acid with methyl chloride in the presence of a suitable base like triethylamine. The reaction is carried out under mild conditions, typically at room temperature, and yields a product with good selectivity and high yield.

What industries use Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS: 885958-67-8)?

Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS: 885958-67-8) is used in various industries, including pharmaceuticals and fine chemicals. It serves as a precursor in the synthesis of medicinal compounds and is also utilized in the development of certain sensor technologies and materials due to its unique chemical properties.

What precautions should be taken when handling Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS: 885958-67-8)?

When handling Methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS: 885958-67-8), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, it should be handled in a fume hood and appropriate clean-up procedures should be followed. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal guidelines.