2-Methyl-2-propanyl (2S)-2-formyl-1-pyrrolidinecarboxylate

Basic Information

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CAS Number

69610-41-9

Molecular Formula

C10H17NO3

Molecular Weight

199.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Pale-yellow to Yellow-brown Liquid

Boiling Point

211 °C

Density

1.063 g/mL at 25 °C

Water Solubility

Slightly soluble water. Soluble in chloroform.

Refractive Index

n20/D 1.462(lit.)

Specific Rotation

-101 º (c=0.66 in chloroform)

SMILES

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CC(C)(C)OC(=O)N1CCCC1C=O

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-8H,4-6H2,1-3H3/t8-/m0/s1

InChIKey

YDBPZCVWPFMBDH-QMMMGPOBSA-N

LogP

1.5848

Topological Polar Surface Area

46.61 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

232

Safety Information

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GHS Hazard Pictograms

H226

H315

H319

H335

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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

Sensitiveness

Air Sensitive

Synonyms & References

English

N-Boc-L-prolnal
(S)-N-BOC-prolinal
(S)-N-Boc-pyrrolidine-2-carboxaldehyde
N-t-butoxylcarbonyl-(L)-prolinal
(S)-1-Boc-2-Formylpyrrolidine
(S)-Boc-prolinal
(S)-tert-butyl 2-formylpyrrolidine-1-carboxylate
69610-41-9
N-BOC-L-Prolinal
(2S)-N-(tert-butoxycarbonyl)-2-formylpyrrolidine
N-t-butyloxycarbonyl-(S)-prolinal
(S)-tert-butyl 2-formylpyrrolidine-1-carboxylate;N-Boc-L-prolinal
tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate
tert-butyl (2S)-2-formyl-1-pyrrolidinecarboxylate
(S)-N-Boc-2-Formyl-pyrrolidine
N-(tert-Butoxycarbonyl)-L-prolinal
(S)-1-tert-butoxycarbonyl-pyrrolidine-2-carbaldehyde
1-Pyrrolidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester, (2S)-
(S)-2-formyl-pyrrolidine-1-carboxylic acid tert-butyl ester
EN300-66989
MFCD00274186
AKOS015841252
tert-butyl (25)-2-formylpyrrolidine-1-carboxylate
(S)-(-)-1-tert-butoxycarbonyl-2-pyrrolidinecarbaldehyde
Z1065768486
(S)-2-Formyl-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester
Boc-L-Pro-PAM resin (100-200 mesh)
AM20100655
(S)-2-formylpyrrolidine-1-carboxylic acid tert-butyl ester
(S)-2-Formyl-1-pyrrolidinecarboxylic Acid, 1.1-dimethylethyl Ester
CS-W009096

MDL Number

MFCD00274186

Customs Code

2933990090

FAQ

What is 2-Methyl-2-propanyl (2S)-2-formyl-1-pyrrolidinecarboxylate (CAS: 69610-41-9)?

2-Methyl-2-propanyl (2S)-2-formyl-1-pyrrolidinecarboxylate (CAS: 69610-41-9) is a synthetic organic compound with the molecular formula C9H16NO3. It features a pyrrolidine ring with a formyl group at the 2-position and a tert-butyl substituent. The compound is valued for its stability and reactivity in chemical synthesis, often used as an intermediate in pharmaceutical and industrial applications. Its structure combines functional groups that make it versatile for further modifications.

What are the main uses of 2-Methyl-2-propanyl (2S)-2-formyl-1-pyrrolidinecarboxylate (CAS: 69610-41-9)?

2-Methyl-2-propanyl (2S)-2-formyl-1-pyrrolidinecarboxylate (CAS: 69610-41-9) is primarily used in pharmaceutical research for synthesizing bioactive molecules and drug candidates. It also serves as an industrial intermediate in polymer production and chemical derivatives. In research settings, it is employed for studying reaction mechanisms and functional group transformations. Its unique structure allows applications in organic synthesis and medicinal chemistry.

Is 2-Methyl-2-propanyl (2S)-2-formyl-1-pyrrolidinecarboxylate (CAS: 69610-41-9) safe?

2-Methyl-2-propanyl (2S)-2-formyl-1-pyrrolidinecarboxylate (CAS: 69610-41-9) is generally considered safe when handled properly. However, it may cause mild skin or eye irritation. Safety precautions include wearing protective gloves, goggles, and lab coats. It should be stored in a well-ventilated area, and safety data sheets (SDS) should be consulted for specific guidelines. No significant toxicity data is widely reported, but standard chemical handling practices apply.

How should 2-Methyl-2-propanyl (2S)-2-formyl-1-pyrrolidinecarboxylate (CAS: 69610-41-9) be stored?

2-Methyl-2-propanyl (2S)-2-formyl-1-pyrrolidinecarboxylate (CAS: 69610-41-9) should be stored in a cool, dry place, away from direct light. It is best kept in a sealed, airtight container to prevent moisture absorption. For optimal stability, store at 2-8°C. Avoid exposure to incompatible substances and ensure proper ventilation. Storage conditions should comply with chemical safety standards to maintain integrity and minimize risks.