2-Methyl-2-propanyl 3-hydroxy-1-pyrrolidinecarboxylate

Basic Information

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CAS Number

103057-44-9

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

57-63 °C

Boiling Point

273.3±33.0°C at 760 mmHg

Density

1.142

Flash Point

119.1℃

Refractive Index

1.502

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

InChIKey

APCBTRDHCDOPNY-UHFFFAOYSA-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

H319

H335

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

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 6.1 Class 6.1

Synonyms & References

English

1-Pyrrolidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester
N-BOC-3-pyrrolodinol
A800391
PB18546
(RS) 1-tert-butoxycarbonyl-3-pyrrolidinol
rac-tert-butyl 3-hydroxy-1-pyrrolidinecarboxylate
PB44607
FT-0601114
NS00015502
CS-W003140
APCBTRDHCDOPNY-UHFFFAOYSA-N
Z975914016
tert-Butyl 3-hydroxypyrrolidine-1-carboxylate
1-(tert-Butoxycarbonyl)-3-pyrrolidinol
1-t-butoxycarbonyl-3hydroxypyrrolidine
AKOS005257151
t-butyl 3-hydroxypyrrolidin-1-carboxylate
tert-butyl-3-hydroxy-1-pyrrolidinecarboxylate
1-(tert-butoxycarbonyl)-3-hydroxy-pyrrolidine
SB10190
1-Boc-3-hydroxypyrrolidine
PS-3870
tert-butyl 3-oxidanylpyrrolidine-1-carboxylate
AC-6706
t-butyl 3-hydroxy-1-pyrrolidinecarboxylate
N-Boc-3-hydroxypyrrolidine
N-tert-butoxycarbonyl-3-hydroxy-pyrrolidine
(r/s)-1-tert-butoxycarbonyl-3-hydroxypyrrolidine
N-tert-butoxycarbonylpyrrolidin-3-ol
F0001-0083
(+/-)-tert-butyl 3-hydroxypyrrolidine-1-carboxylate

MDL Number

MFCD04038535

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 2-Methyl-2-propanyl 3-hydroxy-1-pyrrolidinecarboxylate (CAS: 103057-44-9)?

2-Methyl-2-propanyl 3-hydroxy-1-pyrrolidinecarboxylate (CAS: 103057-44-9) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) which mandates classification based on its physical and health hazards. In Europe, it is covered by REACH regulations, requiring manufacturers and importers to register the substance with the European Chemicals Agency (ECHA). The FDA and EPA may also have specific requirements for its handling and use in the United States. Proper labeling, storage, and disposal practices must be followed to ensure compliance with these regulations.

Are there alternatives to 2-Methyl-2-propanyl 3-hydroxy-1-pyrrolidinecarboxylate (CAS: 103057-44-9) in synthesis?

While 2-Methyl-2-propanyl 3-hydroxy-1-pyrrolidinecarboxylate (CAS: 103057-44-9) is a specific compound, there are often alternative reagents and analogs that can be used in synthesis. For instance, similar molecules like 3-hydroxy-1-pyrrolidine-2-carboxylic acid or other 2-methyl derivatives could serve as alternatives. The choice of alternative depends on the specific reaction conditions and the desired product properties.

What is the market or research trend for 2-Methyl-2-propanyl 3-hydroxy-1-pyrrolidinecarboxylate (CAS: 103057-44-9)?

The market for 2-Methyl-2-propanyl 3-hydroxy-1-pyrrolidinecarboxylate (CAS: 103057-44-9) is primarily driven by its use in pharmaceuticals, particularly in drug development for various therapeutic areas including cardiovascular and neurology. Research trends indicate a growing interest in its applications as a precursor for synthesizing bioactive compounds. Market trends suggest increasing demand due to its potential in personalized medicine and new drug discovery.

How should waste containing 2-Methyl-2-propanyl 3-hydroxy-1-pyrrolidinecarboxylate (CAS: 103057-44-9) be handled?

Waste containing 2-Methyl-2-propanyl 3-hydroxy-1-pyrrolidinecarboxylate (CAS: 103057-44-9) should be collected in appropriate containers and stored in a cool, dry place away from flammable materials. It should be handled with care to prevent spills and inhalation. For disposal, it is recommended to contact a professional hazardous waste management service. Environmental protection precautions include ensuring that the waste is not discharged into waterways or the atmosphere and following local and national regulations for hazardous waste treatment and disposal.