2-Methyl-2-propanyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate

Basic Information

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CAS Number

101469-92-5

Molecular Formula

C9H17NO3

Molecular Weight

187.24 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

Physical State

White to Yellow Solid

Melting Point

61.0 to 65.0 deg-C

Boiling Point

273.3 °C

Density

1.1420

Flash Point

119.1℃

Refractive Index

27 ° (C=1, MeOH)

Specific Rotation

26 º (c=1%, MeOH)

SMILES

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

InChI

InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3/t7-/m0/s1

InChIKey

APCBTRDHCDOPNY-ZETCQYMHSA-N

LogP

0.9881

Topological Polar Surface Area

49.769999999999996 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

198

Safety Information

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GHS Hazard Pictograms

H301

H315

H318

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

PB17202
(S)-N-(tert-Butoxycarbonyl)-3-hydroxypyrrolidine
(S)-tert-butyl3-hydroxypyrrolidine-1-carboxylate
(S)-3-hydroxy-N-Boc-pyrrolidine
A16275
(s)-n-tert-butoxycarbonyl-3-hydroxypyrrolidine
DTXSID00357541
t-butyl(3S)-3-hydroxypyrrolidine-1-carboxylate
101469-92-5
Q-102861
(S)-1-Boc-3-hydroxypyrrolidine
(S)-N-(tert-Butoxycarbonyl)-(+)-3-pyrrolidinol
CS-M0905
tert-butyl (S)-3-hydroxypyrrolidine-1-carboxylate
APCBTRDHCDOPNY-ZETCQYMHSA-N
(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester
(S)-1-N-Boc-3-hydroxypyrrolidine
(S)-(-)-N-BOC-3-PYRROLIDINOL
(S)-(+)-1-Boc-3-hydroxypyrrolidine
(S)-1-t-butoxycarbonyl-3-hydroxypyrrolidine
tert-butyl(S)-3-hydroxypyrrolidine-1-carboxylate
t-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
(S)-(+)-N-Boc-3-pyrrolidinol, 97%
tert. butyl (S)-3-hydroxy-pyrrolidin-1-carboxylate
(S)-3-Hydroxy-pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-(+)-N-Boc-3-pyrrolidinol
MFCD01317839
Q-102851
N-tert-butoxycarbonyl-3-(S)-pyrrolidinol
EN300-77160
AS-37120

MDL Number

MFCD01317839

Customs Code

2933990090

FAQ

What is 2-Methyl-2-propanyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate (CAS: 101469-92-5)?

2-Methyl-2-propanyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate (CAS: 101469-92-5) is an organic compound characterized by a pyrrolidine ring substituted with a carboxylate group and a 2-methyl-2-propanyl (isopropyl) side chain. It contains hydroxyl functionality and is known for its structural complexity, making it a valuable intermediate in various chemical syntheses. Its molecular formula is C9H17NO3, and it typically appears as a solid with specific solubility properties depending on the functional groups present.

What are the main uses of 2-Methyl-2-propanyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate (CAS: 101469-92-5)?

2-Methyl-2-propanyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate (CAS: 101469-92-5) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic synthesis, particularly in the creation of complex molecules with biological activity. Due to its reactivity and functional group diversity, it is utilized in the production of specialty chemicals and may be involved in the development of agrochemicals or materials science compounds.

Is 2-Methyl-2-propanyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate (CAS: 101469-92-5) safe?

2-Methyl-2-propanyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate (CAS: 101469-92-5) is generally considered safe when handled properly in controlled environments. However, it should be treated with caution as it may pose health risks if inhaled, ingested, or exposed to the skin. Safety standards recommend using personal protective equipment (PPE) such as gloves, goggles, and lab coats. It is important to follow proper disposal protocols to ensure environmental safety.

How should 2-Methyl-2-propanyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate (CAS: 101469-92-5) be stored?

2-Methyl-2-propanyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate (CAS: 101469-92-5) should be stored in a cool, dry, and well-ventilated area away from direct light. It is best kept in a sealed, airtight container to prevent moisture absorption and degradation. Storage at temperatures below 25°C is recommended to maintain stability. Always ensure proper labeling and keep it out of reach of children and unauthorized personnel.