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

Basic Information

View in Editor

CAS Number

83825-42-7

Molecular Formula

C12H17NO4S

Molecular Weight

452.66 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

434.7 °C at 760 mmHg

Density

1.2791 (rough estimate)

Flash Point

216.7 °C

Refractive Index

1.6280 (estimate)

SMILES

View in Editor

CC(C)(C)OC(=O)NC(CC1=CSC=C1)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C12H17NO4S/c1-12(2,3)17-11(16)13-9(10(14)15)6-8-4-5-18-7-8/h4-5,7,9H,6H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1

InChIKey

SIQSLARNSCAXSF-VIFPVBQESA-N

LogP

5.509900000000005

Topological Polar Surface Area

87.66 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

430

Synonyms & References

English

Boc-L-3-Thienylalanine-DCHA
PS-12146
83825-42-7
A-(3-thienyl)-Ala-OH (dicyclohexylammonium) salt
Boc-
CS-0201644
Boc-beta-(3-thienyl)-Ala-OH (dicyclohexylammonium) salt, purum, >=98.0% (TLC)
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(thiophen-3-yl)propanoic acid; N-cyclohexylcyclohexanamine
Boc-L-3-Thienylalanine DCHA (Boc-L-3Thi-OH.DCHA)
A840662
BOC-3-(3-THIENYL)-L-ALANINE DCHA SALT
MFCD01860893
(S)-2-((tert-Butoxycarbonyl)amino)-3-(thiophen-3-yl)propanoic acid dicyclohexylammonium salt
AKOS015948712
BOC-L-3-THIENYLALANINE DCHA SALT
A50230
N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoic acid
Dicyclohexylamine(S)-2-((tert-butoxycarbonyl)amino)-3-(thiophen-3-yl)propanoate
BOC-L-3-THIENYLALANINE DCHA
dicyclohexylamine (S)-2-(tert-butoxycarbonylamino)-3-(thiophen-3-yl)propanoate
HY-W141848
Boc-Ala(3-Thienyl)-OH.DCHA
331730-13-3
dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)-3-(thiophen-3-yl)propanoate
Boc-L-3-(3-Thienyl)alanine dicyclohexylamine salt
Boc-L-3-(3-Thienyl)alanine-DCHA
Boc-3-(3-Thienyl)-L-alanine
Boc-L-3-(3-Thienyl)alanine
Boc-L-3-(3-Thienyl)-alanine
Boc-ß-(3-thienyl)-L-alanine dicyclohexylammonium salt
(2S)-2-[(tert-butoxycarbonyl)amino]-3-(thiophen-3-yl)propanoic acid

MDL Number

MFCD01860893

Customs Code

2934999090

FAQ

What regulatory guidelines apply to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-thienyl)-L-alanine (CAS: 83825-42-7)?

N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-thienyl)-L-alanine (CAS: 83825-42-7) falls under the scope of the REACH regulation in the European Union, requiring registration for substances above a certain tonnage threshold. Additionally, it is classified under the GHS system, which includes specific hazard categories such as skin corrosion/irritation, serious eye damage/eye irritation, and may be regulated by the FDA for pharmaceutical applications and the EPA for environmental concerns. Proper labeling and documentation are essential for compliance.

Are there alternatives to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-thienyl)-L-alanine in synthesis?

Several alternatives to N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-thienyl)-L-alanine can be used in synthesis, depending on the specific requirements of the reaction. For instance, using other amino acids with different side chains or substituents can provide similar functional groups. Common alternatives include L-alanine derivatives or thiophene-containing amino acids. Alternative reagents such as thiol-containing compounds or protected amino acids can also be considered.

What is the market or research trend for N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-thienyl)-L-alanine?

The market for N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-thienyl)-L-alanine (CAS: 83825-42-7) is growing due to its applications in the development of peptidomimetics and pharmaceuticals. Research trends focus on its use as a building block for drug discovery and as a model compound for studying protein-ligand interactions. Demand is expected to increase as it becomes more integrated into medicinal chemistry and synthetic biology projects.

How should waste containing N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-thienyl)-L-alanine be handled?

Handling waste containing N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(3-thienyl)-L-alanine (CAS: 83825-42-7) requires careful attention to safety and environmental protection. Waste liquid should be collected in appropriate containers and stored in a controlled environment to prevent degradation. Incineration or professional waste disposal services should be used for disposal. Compliance with local regulations and proper documentation of waste management practices are essential to ensure safety and environmental protection.