3-(1-Benzothiophen-3-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine

Basic Information

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CAS Number

154902-51-9

Molecular Formula

C16H19NO4S

Molecular Weight

321.4 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

SMILES

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CC(C)(C)OC(=O)NC(CC1=CSC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C16H19NO4S/c1-16(2,3)21-15(20)17-12(14(18)19)8-10-9-22-13-7-5-4-6-11(10)13/h4-7,9,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m0/s1

InChIKey

MURVSBJYXHTRJQ-LBPRGKRZSA-N

LogP

3.4217000000000013

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

421

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

对空气敏感

Synonyms & References

English

Boc--(3-benzothienyl)-Ala-OH
Benzo[b]thiophene-3-propanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-
C16H19NO4S
Boc-L-3-Benzothienylala
AM83626
Boc-L-3-Benzothienylalanine
A809584
MURVSBJYXHTRJQ-LBPRGKRZSA-N
(S)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid
AKOS015948718
A50218
Boc-3-(3-benzothienyl)-L-alanine
3-(1-benzothien-3-yl)-N-{[(1,1-dimethylethyl)oxy]carbonyl}-L-alanine
Boc-Ala(3-Bzt)-OH
Boc-L-3-BenZothienylalanine (Boc-L-Ala(benZothiophen-3-yl)-OH)
Boc- beta -(3-benzothienyl)-Ala-OH
AC-9640
3-(1-Benzothiophen-3-yl)-N-[tert-butoxy(hydroxy)methylidene]alanine
Boc-beta-(3-benzothienyl)-L-alanine
Boc-beta-(3-benzothienyl)-Ala-OH
CS-W009890
DS-8275
AKOS015836441
(2s)-3-benzo[b]thiophen-3-yl-2-[(tert-butoxy)carbonylamino]propanoic acid
(2S)-3-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
(S)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoicacid
J-009158
154902-51-9
Boc-beta-(3-benzothienyl)-Ala-OH, >=96.0% (TLC)
DTXSID90935094
MFCD00237538

MDL Number

MFCD00237538

FAQ

What regulatory guidelines apply to 3-(1-Benzothiophen-3-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 154902-51-9)?

The compound 3-(1-Benzothiophen-3-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 154902-51-9) falls under the scope of the REACH regulation for chemicals and mixtures in the European Union. It is also subject to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for classification and labeling. In the United States, it must comply with FDA and EPA regulations related to chemical substances and their use in pharmaceuticals and environmental releases.

Are there alternatives to 3-(1-Benzothiophen-3-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 154902-51-9) in synthesis?

There are several alternatives to 3-(1-Benzothiophen-3-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 154902-51-9) in synthesis, such as using other amino acids or analogs, like 3-(1-benzothiophen-3-yl)-L-alanine, or employing different protecting groups. Common alternative reagents include Boc ( tert -butyloxycarbonyl) groups or Fmoc (fluorenylmethoxycarbonyl) groups.

What is the market or research trend for 3-(1-Benzothiophen-3-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 154902-51-9)?

The market for 3-(1-Benzothiophen-3-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 154902-51-9) is currently driven by its potential applications in pharmaceutical research, specifically in drug discovery and development. Recent research trends indicate a growing interest in this compound for its unique chemical properties and its potential as a therapeutic agent. Market demand is expected to increase as more clinical trials are conducted.

How should waste containing 3-(1-Benzothiophen-3-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 154902-51-9) be handled?

Waste containing 3-(1-Benzothiophen-3-yl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine (CAS: 154902-51-9) should be collected in appropriate containers and disposed of according to local and national regulations. Incineration is a common method for disposing of this waste, but it should be conducted in a controlled environment to minimize environmental impact. Additionally, professional waste disposal services can ensure safe and compliant disposal. Proper handling and disposal practices are essential to protect human health and the environment.