2-Methyl-2-propanyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate

Basic Information

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CAS Number

114214-69-6

Molecular Formula

C10H19NO3

Molecular Weight

201.27 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

Physical State

Pale-yellow to Yellow-brown Liquid

Melting Point

No data available

Boiling Point

285-291 °C

Flash Point

128.9℃

Refractive Index

1.4680 to 1.4720

SMILES

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

InChI

InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-5-4-8(6-11)7-12/h8,12H,4-7H2,1-3H3

InChIKey

HKIGXXRMJFUUKV-UHFFFAOYSA-N

LogP

1.2357

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

210

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

FT-0650091
(3R)-1-Boc-3-(hydroxymethyl)pyrrolidine
BP-13175
t-butyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate
SY004169
N-tert-butoxycarbonyl-3-hydroxymethylpyrrolidine
114214-69-6
1-Boc-3-hydroxymethylpyrrolidine
HKIGXXRMJFUUKV-UHFFFAOYSA-N
(R)-1-BOC-3-PYRROLIDINEMETHANOL
3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester, AldrichCPR
1-(tert-Butoxycarbonyl)-3-pyrrolidinemethanol
EN300-61991
1-Boc-3-(hydroxymethyl)pyrrolidine
tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate;1-Boc-3-(hydroxymethyl)pyrrolidine
AC-3511
SY020767
1-t-butoxycarbonyl-3-hydroxymethylpyrrolidine
tert-butyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate
SY023073
Tert-butyl3-(hydroxymethyl)pyrrolidine-1-carboxylate
1,1-dimethylethyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate
SCHEMBL621267
N-tert-butoxycarbonyl-3-(hydroxymethyl)pyrrolidine
(S)-1-Boc-3-(hydroxymethyl)pyrrolidine
PB30747
PB33659
3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
BCP22293
1-t-butoxycarbonylpyrrolidine-3-methanol
3-hydroxyMethylpyrrolidine-1-carboxylic acid tert- butyl ester

MDL Number

MFCD02179040

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-Methyl-2-propanyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 114214-69-6)?

2-Methyl-2-propanyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 114214-69-6) is a colorless or white crystalline solid. It has a molecular weight of approximately 224.3 g/mol and a solubility of about 1.5 g/L in water. This compound is moderately reactive, particularly towards nucleophiles and bases. It is poorly soluble in water but has good solubility in organic solvents like ethanol and acetonitrile.

How is 2-Methyl-2-propanyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 114214-69-6) typically synthesized?

2-Methyl-2-propanyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 114214-69-6) is typically synthesized via the reaction of 2-methylpropanoyl chloride with 1-hydroxy-3-(2-hydroxyethyl)pyrrolidine. This process involves the use of anhydrous conditions and anhydrous solvents to minimize side reactions. The reaction is catalyzed by a Lewis acid and proceeds with good regioselectivity, yielding a product with high purity.

What industries use 2-Methyl-2-propanyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 114214-69-6)?

2-Methyl-2-propanyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 114214-69-6) is utilized in the pharmaceutical industry for the synthesis of various drug candidates. It also finds applications in the polymer industry for the modification of polymer chains. Additionally, this compound is used in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 2-Methyl-2-proanyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 114214-69-6)?

When handling 2-Methyl-2-proanyl 3-(hydroxymethyl)-1-pyrrolidinecarboxylate (CAS: 114214-69-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure that the handling is conducted in a well-ventilated fume hood to minimize exposure to vapors. Spills should be cleaned up using absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for specific handling and disposal recommendations.