(S)-3-Boc-aminopyrrolidine

Basic Information

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CAS Number

122536-76-9

Molecular Formula

C9H18N2O2

Molecular Weight

186.25 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

76.0 to 80.0 deg-C

Boiling Point

112 °C/0.25 mmHg

Water Solubility

Soluble in water.

Flash Point

127℃

Refractive Index

-20 ° (C=1, EtOH)

Specific Rotation

-24° - -19° (c=1, ethanol)

SMILES

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CC(C)(C)OC(=O)NC1CCNC1

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1

InChIKey

DQQJBEAXSOOCPG-ZETCQYMHSA-N

LogP

0.8729999999999999

Topological Polar Surface Area

50.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

187

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

Hazard Class

Class 8 Class 8

Sensitiveness

Air Sensitive

Synonyms & References

English

(s)-3-n-boc-aminopyrrolidine
(s)-3-n-boc-amino pyrrolidine
DQQJBEAXSOOCPG-ZETCQYMHSA-N
(S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]pyrrolidine
(3S)-(+)-3-(tert-butoxycarbonylamino)pyrrolidine
(3S)-3-(tert-Butoxycarbonylamino)pyrrolidine
(35)-(-)-3-(tert-butoxycarbonylamino)pyrrolidine
(s)-tert-butyl pyrrolidin-3-ylcarbamate
HY-79691
(S)-(+)-3-(Boc-amino)pyrrolidine
BCP25625
(-)-(S)-3-(Boc-amino)pyrrolidine
(S)-pyrrolidin-3-ylcarbamic acid tert-butyl ester
(S)-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
(S)-3-t-butoxycarbonylaminopyrrolidine
(s)-3-aminopyrrolidine, 3-boc protected
A1172
(S)-3-(Boc-amino)pyrrolidine, >=98.0% (TLC)
AKOS005263773
tert-butyl (3s)pyrrolidin-3-ylcarbamate
SCHEMBL133307
Q-102167
tert-butyl (S)-N-pyrrolidin-3-ylcarbamate
tert-butyl(s)-pyrrolidin-3-ylcarbamate
122536-76-9
(S)-3-(tert.-butyloxycarbonylamino)pyrrolidine
(S)-pyrrolidin-3 -ylcarbamic acid tert-butyl ester
(S)-(-)-3-(T-BUTOXYCARBONYLAMINO)PYRROLIDINE
DTXSID90363878
(S)-3-(Boc-amino)-pyrrolidine
AC-24356

MDL Number

MFCD00143194

Customs Code

2942000000

FAQ

What regulatory guidelines apply to (S)-3-Boc-aminopyrrolidine (CAS: 122536-76-9)?

(S)-3-Boc-aminopyrrolidine (CAS: 122536-76-9) falls under the purview of several regulatory guidelines. It requires adherence to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazard communication. Additionally, it is subject to the REACH regulations in the EU, which govern the manufacture, import, and use of chemical substances. In the US, the FDA and EPA have specific requirements for the handling and disposal of chemical substances like (S)-3-Boc-aminopyrrolidine.

Are there alternatives to (S)-3-Boc-aminopyrrolidine in synthesis (CAS: 122536-76-9)?

Alternatives to (S)-3-Boc-aminopyrrolidine in synthesis include other aminopyrrolidines or related compounds such as (R)-3-Boc-aminopyrrolidine or (S)-3-aminopyrrolidine. These alternatives can serve as effective substitutes depending on the specific requirements of the synthesis. Other common reagents used in similar reactions include Boc-protected amino acids or related Boc-protected amine derivatives.

What is the market or research trend for (S)-3-Boc-aminopyrrolidine (CAS: 122536-76-9)?

The market for (S)-3-Boc-aminopyrrolidine (CAS: 122536-76-9) is growing due to its use as a chiral building block in pharmaceuticals and agrochemicals. Research trends are focusing on its application in the synthesis of complex molecules and its potential in drug discovery. Industry demand is driven by increasing needs in drug development, with a particular emphasis on chiral compounds that enhance the efficacy and safety of pharmaceuticals.

How should waste containing (S)-3-Boc-aminopyrrolidine (CAS: 122536-76-9) be handled?

Waste containing (S)-3-Boc-aminopyrrolidine (CAS: 122536-76-9) should be collected in properly labeled containers and disposed of according to local regulations. It is recommended to incinerate the waste or use a professional hazardous waste disposal service. Environmental protection measures include proper containment to prevent accidental spills and adherence to safety protocols to minimize environmental impact. Always consult the Material Safety Data Sheet (MSDS) for specific disposal instructions.