2-Methyl-2-propanyl 1-pyrrolidinecarboxylate

Basic Information

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CAS Number

86953-79-9

Molecular Formula

C9H17NO2

Molecular Weight

171.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Melting Point

No data available

Boiling Point

75°C/0.05mmHg

Density

0.977 g/mL at 25 °C

Refractive Index

n20/D 1.449(lit.)

SMILES

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CC(C)(C)OC(=O)N1CCCC1

InChI

InChI=1S/C9H17NO2/c1-9(2,3)12-8(11)10-6-4-5-7-10/h4-7H2,1-3H3

InChIKey

LPQZERIRKRYGGM-UHFFFAOYSA-N

LogP

2.0173

Topological Polar Surface Area

29.54 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

166

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Synonyms & References

English

tert-Butyl pyrrolidine-1-carboxylate
N-1-BOC-Pyrrolidone
N-BOC-Tetrahydro pyrrole
tert-Butyl pyrrolidine-1-carboxylate, 1-(tert-Butoxycarbonyl)pyrrolidine
1-Pyrrolidinecarboxylic Acid 1,1-DiMethylethyl Ester
NT 0186
N-tert-Butoxycarbonylpyrrolidine
1-tert-Butoxycarbonylpyrrolidine
N-Boc-pyrrolidine
1-Boc-pyrrolidine
1-Boc-pyrrolidin
tert-Butyl 1-Pyrrolidinecarboxylate
1-Pyrrolidinecarboxylic Acid tert-Butyl Ester
1-(tert-Butoxycarbonyl)pyrrolidine
tert-Butyl 1-pyrrolidinecarboxylate
tert-butyl pyrrolidine-1-carboxylate

MDL Number

MFCD00216581

Customs Code

2933990090

FAQ

What is 2-Methyl-2-propanyl 1-pyrrolidinecarboxylate (CAS: 86953-79-9)?

2-Methyl-2-propanyl 1-pyrrolidinecarboxylate (CAS: 86953-79-9) is a colorless or slightly yellow liquid with a characteristic odor. It is used as a precursor in the synthesis of various organic compounds and pharmaceuticals.

What are the main uses of 2-Methyl-2-propanyl 1-pyrrolidinecarboxylate (CAS: 86953-79-9)?

2-Methyl-2-propanyl 1-pyrrolidinecarboxylate (CAS: 86953-79-9) is primarily used as a reagent in chemical synthesis, particularly in the production of pharmaceuticals and fine chemicals. It is also used in the preparation of other organic compounds.

Is 2-Methyl-2-propanyl 1-pyrrolidinecarboxylate (CAS: 86953-79-9) safe?

2-Methyl-2-propanyl 1-pyrrolidinecarboxylate (CAS: 86953-79-9) is generally safe when handled with proper precautions. It is important to avoid skin contact and inhalation. Adequate ventilation and personal protective equipment (PPE) should be used during handling.

How should 2-Methyl-2-propanyl 1-pyrrolidinecarboxylate (CAS: 86953-79-9) be stored?

2-Methyl-2-propanyl 1-pyrrolidinecarboxylate (CAS: 86953-79-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a sealed container to prevent degradation. Storage temperature should be below 25°C to ensure stability.