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

Basic Information

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CAS Number

98266-33-2

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

136.8 ºC

Boiling Point

409.5°C (rough estimate)

Density

1.1738 (rough estimate)

Flash Point

227.7 °C

Refractive Index

1.6450 (estimate)

SMILES

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CC(C)(C)OC(=O)NC(CC1=CN=CC=C1)C(=O)O

InChI

InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)7-9-5-4-6-14-8-9/h4-6,8,10H,7H2,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1

InChIKey

JLBCSWWZSSVXRQ-SNVBAGLBSA-N

LogP

1.6019999999999999

Topological Polar Surface Area

88.52 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

325

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(R)-2-((tert-Butoxycarbonyl)amino)-3-(pyridin-3-yl)propanoic acid
JLBCSWWZSSVXRQ-SNVBAGLBSA-N
EN300-94621
Boc-3-(3-pyridyl)-D-alanine
DTXSID90370340
(R)-2-(tert-butoxycarbonylamino)-3-(pyridin-3-yl)propanoic acid
N-Boc-beta-(3-pyridinyl)-D-alanine
Boc-D-3-Pyridylalanine
N-(tert-Butoxycarbonyl)-3-pyridin-3-yl-D-alanine
Boc--(3-pyridyl)-D-Ala-OH
BOC-D-3-PAL-OH
Boc-D-Pal
A50240
(2R)-2-{[(tert-butoxy)carbonyl]amino}-3-(pyridin-3-yl)propanoic acid
Boc-3-(3-pyridyl)d-alanine
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-3-ylpropanoic acid
HY-W013874
SCHEMBL606221
BOC-3'-PYRIDYL-D-ALA
N-tert-Butoxycarbonyl-D-3-(3-Pyridyl) Alanine
BOC-D-ALA(3-PYRI)-OH
Boc-3-(3-pyridyl)-D-Ala-OH
MFCD00076901
98266-33-2
AM83725
CS-W014590
BOC-D-3-(3-PYRIDYL)-ALANINE
AC-9958
AS-14833
N-(tert-Butoxycarbonyl)-3-(3-pyridinyl)-D-alanine
AKOS016843542

MDL Number

MFCD25966551

Customs Code

2933399090

FAQ

What regulatory guidelines apply to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-pyridinyl)-D-alanine (CAS: 98266-33-2)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-pyridinyl)-D-alanine (CAS: 98266-33-2) is regulated under the Globally Harmonized System (GHS) for classification and labeling of chemicals. In the European Union, it is covered by REACH regulations. For use in the United States, FDA and EPA have specific requirements for handling and registration of chemicals with similar properties.

Are there alternatives to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-pyridinyl)-D-alanine (CAS: 98266-33-2) in synthesis?

There are alternative reagents and analogs that can be used in its synthesis, such as other D-amino acids or derivatives with similar functional groups. Common substitutes include N-(2-Hydroxyethyl)-3-(3-pyridinyl)-D-alanine or related α-amino acids, which may offer similar chemical reactivity under different conditions.

What is the market or research trend for N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-pyridinyl)-D-alanine (CAS: 98266-33-2)?

Research into N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-pyridinyl)-D-alanine (CAS: 98266-33-2) is focused on its potential as a drug candidate for various therapeutic applications. Market trends suggest increasing interest in amino acids and their derivatives for drug development, driven by their biological activity and structural diversity.

How should waste containing N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-pyridinyl)-D-alanine (CAS: 98266-33-2) be handled?

Waste containing N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-pyridinyl)-D-alanine (CAS: 98266-33-2) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, and environmental precautions should be taken to minimize any potential environmental impact. Always check local regulations for specific disposal requirements.