3-Methyl 1-(2-methyl-2-propanyl) 1,3-pyrrolidinedicarboxylate

Basic Information

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CAS Number

122684-33-7

Molecular Formula

C11H19NO4

Molecular Weight

229.28 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

Pale-yellow to Yellow-brown Liquid

Melting Point

No data available

Boiling Point

105 °C/0.2 mmHg

Density

1.121

Flash Point

128.32℃

Refractive Index

1.4560 to 1.4600

SMILES

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CC(C)(C)OC(=O)N1CCC(C1)C(=O)OC

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-6-5-8(7-12)9(13)15-4/h8H,5-7H2,1-4H3

InChIKey

LIWFYAVKYUQMRE-UHFFFAOYSA-N

LogP

1.4163999999999997

Topological Polar Surface Area

55.84 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

282

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

SB10258
DS-11138
FT-0647459
A2585
PB19062
BCP14957
Methyl1-Boc-3-pyrrolidinecarboxylate
1-O-tert-butyl 3-O-methyl pyrrolidine-1,3-dicarboxylate
1-t-Butyloxycarbonyl-3-methoxycarbonyl pyrrolidine
LIWFYAVKYUQMRE-UHFFFAOYSA-N
1-(tert-Butoxycarbonyl)-3-pyrrolidinecarboxylic Acid Methyl Ester
3-methyl 1-tert-butyl pyrrolidine-1,3-dicarboxylate
MFCD09954284
1,3-PYRROLIDINEDICARBOXYLIC ACID, 1-(1,1-DIMETHYLETHYL) 3-METHYL ESTER
J-004843
1-tert-butyl 3-methyl pyrrolidine-1,3-dicarboxylate;METHYL 1-N-BOC-DL-BETA-PROLINATE
DTXSID00404403
AM20080169
MFCD09838822
Methyl (R)-1-Boc-pyrrolidine-3-carboxylate
AC-875
122684-33-7
PB12790
1-Boc-3-pyrrolidinecarboxylic Acid Methyl Ester
AKOS005255579
FT-0601706
Methyl 1-BOC-3-pyrrolidine carboxylate
Methyl 1-N-Boc-DL-beta-prolinate
MFCD04038683
Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-methyl ester
BCP27143

MDL Number

MFCD04038683

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Methyl 1-(2-methyl-2-propanyl) 1,3-pyrrolidinedicarboxylate (CAS: 122684-33-7)?

3-Methyl 1-(2-methyl-2-propanyl) 1,3-pyrrolidinedicarboxylate is a white crystalline solid with a molecular weight of approximately 260.38 g/mol. It has a low solubility in water but is more soluble in common organic solvents like ethanol and acetone. The compound is known for its moderate reactivity and is susceptible to hydrolysis under basic conditions. It can form soluble salts and esters, and its reactivity makes it useful in organic synthesis and various chemical applications.

How is 3-Methyl 1-(2-methyl-2-propanyl) 1,3-pyrrolidinedicarboxylate (CAS: 122684-33-7) typically synthesized?

3-Methyl 1-(2-methyl-2-propanyl) 1,3-pyrrolidinedicarboxylate is typically synthesized through the condensation of 3-methyl-2-methylpropyl 1,3-pyrrolidinecarboxylate with 3-methyl-1,3-pyrrolidinecarboxylic acid. The reaction is catalyzed by a Lewis acid such as aluminum chloride, and the product is isolated by recrystallization. The process typically yields a product with high purity, making it suitable for further chemical transformations.

What industries use 3-Methyl 1-(2-methyl-2-propanyl) 1,3-pyrrolidinedicarboxylate (CAS: 122684-33-7)?

3-Methyl 1-(2-methyl-2-propanyl) 1,3-pyrrolidinedicarboxylate is used in a variety of industries due to its chemical properties. It is a key intermediate in the synthesis of pharmaceuticals, particularly in the development of non-steroidal anti-inflammatory drugs (NSAIDs). Additionally, it finds applications in the production of polymers, sensors, and semiconductors, where its reactivity and stability make it a valuable component.

What precautions should be taken when handling 3-Methyl 1-(2-methyl-2-propanyl) 1,3-pyrrolidinedicarboxylate (CAS: 122684-33-7)?

When handling 3-Methyl 1-(2-methyl-2-propanyl) 1,3-pyrrolidinedicarboxylate, it is crucial to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Fume hoods should be used during handling to minimize inhalation risks. In case of a spill, it should be cleaned up carefully, and appropriate safety data sheets (SDS) should be consulted for detailed cleanup procedures and emergency response guidelines.