(R)-2-amino-3-(o-tolyl)propanoic acid

Basic Information

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CAS Number

80126-54-1

Molecular Formula

C10H13NO2

Molecular Weight

179.22 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

326.2°C at 760 mmHg

Density

1.165

Flash Point

151.1 °C

Refractive Index

1.561

SMILES

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CC1=CC=CC=C1CC(C(=O)O)N

InChI

InChI=1S/C10H13NO2/c1-7-4-2-3-5-8(7)6-9(11)10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)/t9-/m1/s1

InChIKey

NHBKDLSKDKUGSB-SECBINFHSA-N

LogP

0.9494199999999999

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

182

Safety Information

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Hazard Statement

H302 Harmful 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

Synonyms & References

English

PS-12170
(2R)-2-amino-3-(2-methylphenyl)propanoic acid
2-Methy-D-Phenylalanine
SCHEMBL383453
(R)-2-AMINO-3-O-TOLYLPROPANOIC ACID
D-2-Methyl Phenylalanine
(R)-2-Amino-3-(o-tolyl)propanoic acid
H-D-PHE(2-ME)-OH
AKOS016843584
D-2-Methylphenylalanine (H-D-Phe(2-Me)-OH)
D-2-Methylphenylalanine
EN300-1298518
CS-0152968
AM83410
AC-5867
2-Methyl-D-phenylalanine
D-Phenylalanine, 2-methyl-
D-2-METHYLPHE
DTXSID301313334
(2R)-2-azaniumyl-3-(2-methylphenyl)propanoate
80126-54-1
A839847
O-METHYL-D-PHENYLALANINE
MFCD01860870
H-O-ME-D-PHE-OH
2-Methylphenyl-D-alanine
D-2-Methylphe
D-2-METHYLPHENYLALANINE
D-phe(2-Me)-OH
o-Methyl-D-phenylalanine
(2R)-2-Amino-3-(2-methylphenyl)propanoic acid

MDL Number

MFCD01860870

Customs Code

2922499990

FAQ

What regulatory guidelines apply to (R)-2-amino-3-(o-tolyl)propanoic acid (CAS: 80126-54-1)?

The (R)-2-amino-3-(o-tolyl)propanoic acid (CAS: 80126-54-1) is subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous substances. It falls under the EU REACH regulations, which require authorization for certain substances above a one-tonne threshold. Additionally, FDA and EPA regulations apply for the use and disposal of this chemical in the United States, focusing on safe handling and environmental protection.

Are there alternatives to (R)-2-amino-3-(o-tolyl)propanoic acid (CAS: 80126-54-1) in synthesis?

Several alternatives can be used in the synthesis of (R)-2-amino-3-(o-tolyl)propanoic acid (CAS: 80126-54-1), including (S)-2-amino-3-(o-tolyl)propanoic acid isomers, and other amino acid derivatives. Common synthetic methods involve the use of chiral auxiliaries or asymmetric synthesis techniques to achieve the desired (R) configuration. Other reagents like diastereoselective aminations can also provide similar products with controlled stereochemistry.

What is the market or research trend for (R)-2-amino-3-(o-tolyl)propanoic acid (CAS: 80126-54-1)?

The market for (R)-2-amino-3-(o-tolyl)propanoic acid (CAS: 80126-54-1) is growing due to its applications in drug development, particularly as a chiral building block for pharmaceuticals. Research trends include the development of more efficient and sustainable synthesis methods, as well as exploring its use in biocatalysis and as a precursor for other valuable compounds. The increasing emphasis on chiral chemistry in the pharmaceutical industry drives demand for this compound.

How should waste containing (R)-2-amino-3-(o-tolyl)propanoic acid (CAS: 80126-54-1) be handled?

Waste containing (R)-2-amino-3-(o-tolyl)propanoic acid (CAS: 80126-54-1) should be collected in appropriate containers and stored under controlled conditions to prevent environmental contamination. For safe disposal, professional waste disposal services should be utilized. Incineration is an effective method for waste disposal, ensuring complete degradation of the compound. Environmental precautions include minimizing exposure and ensuring all safety protocols are followed during handling and disposal to comply with regulatory requirements.