(2R)-Amino(1,4-cyclohexadien-1-yl)acetic acid

Basic Information

View in Editor

CAS Number

26774-88-9

Molecular Formula

C8H11NO2

Molecular Weight

153.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Physical Properties

Melting Point

280 °C (dec.)

Boiling Point

276.1°C (rough estimate)

Flash Point

122.8 °C

Refractive Index

-155 ° (C=1, 1mol/L HCl)

Specific Rotation

-154 º (c=1 in H2O)

SMILES

View in Editor

C1C=CCC(=C1)C(C(=O)O)N

InChI

InChI=1S/C8H11NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H,10,11)/t7-/m1/s1

InChIKey

JBJJTCGQCRGNOL-SSDOTTSWSA-N

LogP

0.6746999999999996

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

218

Safety Information

View Safety Information

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

Synonyms & References

English

EN300-6491563
(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetic acid
451NQ27TG5
(R)-(-)-2-(2,5-Dihydrophenyl)glycine
AS-12187
EINECS 247-999-1
W-107154
(R)-2-amino-2-(cyclohexa-1,4-dienyl)acetic acid
(alphaR)-alpha-Amino-1,4-cyclohexadiene-1-acetic acid
Cyclohexa-1,4-dienylglycine, European Pharmacopoeia (EP) Reference Standard
SCHEMBL11298974
(2R)-Amino(1,4-cyclohexadien-1-yl)acetic acid
2,5-Dihydrophenylglycine, D-
(R)-(-)-2-(2,5-Dihydrophenyl)glycine, 98%
MFCD00137746
AKOS006237844
HY-W015563
NS00050705
CS-W016279
d-dihydrophenylglycine
CHEMBL4091926
A818597
1,4-CYCLOHEXADIENE-1-ACETIC ACID, .ALPHA.-AMINO-, (R)-
(2R)-amino(cyclohexa-1,4-dienyl)acetic acid
Cyclohexa-1,4-dienylglycine
Q27258792
D-2-(1,4-CYCLOHEXADIENYL)GLYCINE
D2539
(-)-2,5-Dihydro-D-phenylglycine
(R)-2-Amino-2-(cyclohexa-1,4-dien-1-yl)acetic acid
(R)-alpha-Amino-1,4-cyclohexadiene-1-acetic acid

MDL Number

MFCD00137746

Customs Code

2922499990

FAQ

What regulatory guidelines apply to (2R)-Amino(1,4-cyclohexadien-1-yl)acetic acid (CAS: 26774-88-9)?

The (2R)-Amino(1,4-cyclohexadien-1-yl)acetic acid (CAS: 26774-88-9) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a skin and eye irritant. In the European Union, it is also subject to REACH regulations, which require suppliers to assess the substance's properties and register it with the European Chemicals Agency (ECHA). The FDA and EPA may have specific requirements based on its intended use, such as in pharmaceuticals or agricultural chemicals.

Are there alternatives to (2R)-Amino(1,4-cyclohexadien-1-yl)acetic acid in synthesis?

Alternative reagents for synthesizing similar functionalities include amino acids like valine or isoleucine, which can serve as precursors. Isomers such as the (2S)-isomer can also be used. For specific applications, cyclic analogs like 1,3-cyclohexanedione or other amino-containing cyclohexenes might be considered. These alternatives can provide similar functional groups or structural features needed in the synthesis process.

What is the market or research trend for (2R)-Amino(1,4-cyclohexadien-1-yl)acetic acid?

The market for (2R)-Amino(1,4-cyclohexadien-1-yl)acetic acid (CAS: 26774-88-9) is largely driven by its use in pharmaceuticals and as an intermediate in organic synthesis. Research trends indicate growing interest in using it for drug development, particularly in areas like oncology and cardiovascular diseases. Additionally, there is increasing focus on sustainable and environmentally friendly synthesis methods, which could influence future demand and research directions.

How should waste containing (2R)-Amino(1,4-cyclohexadien-1-yl)acetic acid (CAS: 26774-88-9) be handled?

Waste containing (2R)-Amino(1,4-cyclohexadien-1-yl)acetic acid (CAS: 26774-88-9) should be collected in appropriate containers and stored in a cool, well-ventilated area away from heat and sources of ignition. Incineration or professional waste disposal services are recommended for safe disposal. Environmental precautions include ensuring that the waste does not enter waterways or soil. Follow local regulations for hazardous waste disposal and ensure all safety measures are in place to prevent exposure or environmental contamination.