N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-pyridinyl)-L-alanine

Basic Information

View in Editor

CAS Number

71239-85-5

Molecular Formula

C13H18N2O4

Molecular Weight

266.3 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

153-157°C

Boiling Point

409.5°C (rough estimate)

Density

1.1738 (rough estimate)

Refractive Index

1.6450 (estimate)

Specific Rotation

-16.5 º (c=1% in methanol)

SMILES

View in Editor

CC(C)(C)OC(=O)NC(CC1=CC=CC=N1)C(=O)O

InChI

InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m0/s1

InChIKey

KMODKKCXWFNEIK-JTQLQIEISA-N

LogP

1.601999999999999

Topological Polar Surface Area

88.52 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

325

Safety Information

View Safety Information

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 IRRITANT Class IRRITANT

Synonyms & References

English

N-Boc-3-(2-pyridyl)-L-alanine
Boc-L-2-Pyridylalanine
(S)-2-(tert-butoxycarbonylamino)-3-(pyridin-2-yl)propanoic acid
AC-9952
DS-1089
(2S)-(tert-butoxycarbonylamino)-3-(2-pyridyl)propanoic acid
N-(tert-butoxycarbonyl)-3-pyridin-2-yl-L-alanine
(2S)-2-[(tert-butoxycarbonyl)amino]-3-(pyridin-2-yl)propanoic acid
71239-85-5
A837126
Boc-3-(2-pyridyl)-L-alanine
SCHEMBL215178
(2S)-2-(tert-butoxycarbonylamino)-3-(2-pyridyl)propanoic acid
Boc-L-3-(2-pyridyl)-alanine
BOC-ALA(2-PYRI)-OH
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(pyridin-2-yl)propanoic acid
J-505266
Boc-3-(2-pyridyl)-Ala-OH
B4293
DTXSID70370328
CS-W003985
HY-W003985
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid
MFCD00191190
KMODKKCXWFNEIK-JTQLQIEISA-N
Boc-L-2-pyridylalanine (Boc-L-2Pal-OH)
N-tert-Butoxycarbonyl-L-3-(2-Pyridyl) Alanine
AKOS015920640
(S)-2-tert-butoxycarbonylamino-3-pyridin-2-ylpropionic acid
N-(boc)-3-(2-pyridyl)-l-alanine
BOC-2-PAL-OH

MDL Number

MFCD00191190

Customs Code

2933399090

FAQ

What regulatory guidelines apply to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-pyridinyl)-L-alanine (CAS: 71239-85-5)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-pyridinyl)-L-alanine (CAS: 71239-85-5) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a classified chemical. Under REACH regulations, it is subject to registration and pre-market evaluation. It is also regulated by the FDA and EPA, particularly concerning its use in pharmaceuticals and environmental safety.

Are there alternatives to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-pyridinyl)-L-alanine (CAS: 71239-85-5) in synthesis?

Alternatives to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-pyridinyl)-L-alanine (CAS: 71239-85-5) include other L-amino acids with similar functional groups, such as 3-(2-pyridinyl)-L-alanine or related cyclic and linear analogs. Common alternative reagents in synthesis include other amino acid derivatives and protecting groups, which can serve similar functional roles in chemical reactions.

What is the market or research trend for N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-pyridinyl)-L-alanine (CAS: 71239-85-5)?

The market trend for N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-pyridinyl)-L-alanine (CAS: 71239-85-5) is driven by its applications in pharmaceuticals and biotechnology. Research is focusing on its use as a medicinal chemical and its potential in drug discovery. Recent trends include the exploration of its biological activity and development of new analogs with enhanced properties.

How should waste containing N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-pyridinyl)-L-alanine (CAS: 71239-85-5) be handled?

Waste containing N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(2-pyridinyl)-L-alanine (CAS: 71239-85-5) should be collected in appropriate containers and stored in a well-ventilated area. It should be disposed of through professional waste disposal methods, such as incineration, in accordance with local and international waste management guidelines. Environmental protection measures should include proper handling to prevent contamination and ensure worker safety.