3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine

Basic Information

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CAS Number

177966-60-8

Molecular Formula

C26H21NO4S

Molecular Weight

443.52 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

690.8°Cat760mmHg

Density

1.356

Flash Point

371.6°C

Refractive Index

1.687

SMILES

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C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CSC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C26H21NO4S/c28-25(29)23(13-16-15-32-24-12-6-5-7-17(16)24)27-26(30)31-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,15,22-23H,13-14H2,(H,27,30)(H,28,29)/t23-/m0/s1

InChIKey

BQIZNDWONIMCGM-QHCPKHFHSA-N

LogP

5.435700000000004

Topological Polar Surface Area

75.63000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

665

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Fmoc-beta-(3-benzothienyl)-L-alanine
A50220
3-(1-Benzothiophen-3-yl)-N-{[(9H-fluoren-9-yl)methoxy](hydroxy)methylidene}alanine
Fmoc-3-(3-benzothienyl)-L-alanine
AC-9642
Fmoc-beta-(3-benzothienyl)-Ala-OH
(2S)-3-(1-benzothiophen-3-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
HY-W010880
DTXSID70939015
CS-W011596
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(benzo[b]thiophen-3-yl)propanoic acid
Benzo[b]thiophene-3-propanoic acid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (alphaS)-
Fmoc-L-3-(3-Benzothienyl)alanine
MFCD00672562
Fmoc-L-3-Benzothienylalanine
(S)-3-Benzo[b]thiophen-3-yl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid
Fmoc-Ala(3-Bzt)-OH
3-(3-Benzothienyl)-N-Fmoc-L-alanine
(2S)-3-(1-benzothien-3-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid
177966-60-8
SCHEMBL6790172
PS-12138
Fmoc-L-3-Benzothienyl alanine
AKOS015912201
EN300-637468
Fmoc-L3-BenZothienylalanine (Fmoc-L-Ala(benZothiophen-3-yl)-OH)
(2S)-3-(1-benzothiophen-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
Fmoc-3-Ala(3-benzothienyl)-OH
AKOS015837218
Fmoc-L3-Benzothienylalanine
Fmoc-3-benzothienyl-L-alanine

MDL Number

MFCD00672562

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine (CAS: 177966-60-8)?

The compound 3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine (CAS: 177966-60-8) is a white crystalline solid at room temperature with a molecular weight of approximately 624.7 g/mol. It has a low solubility in water but is soluble in organic solvents like methanol and dimethylformamide. The compound is known for its reactivity towards nucleophiles, particularly through its carboxylic acid functionality.

How is 3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine (CAS: 177966-60-8) typically synthesized?

3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine (CAS: 177966-60-8) is typically synthesized through a multi-step process involving the condensation of 1-benzothiophen-3-ylalanine with fluoren-9-ylmethanol, followed by a coupling reaction using a suitable coupling agent like HATU in the presence of a base. The reaction is performed under anhydrous conditions to ensure high reactivity and yield.

What industries use 3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine (CAS: 177966-60-8)?

3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine (CAS: 177966-60-8) is primarily used in the pharmaceutical industry for the synthesis of complex molecules and drug intermediates. It is also explored for its potential applications in the polymer industry, particularly in the development of functional polymers, and in the manufacturing of advanced materials for sensors and semiconductors.

What precautions should be taken when handling 3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine (CAS: 177966-60-8)?

When handling 3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine (CAS: 177966-60-8), it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be handled in a well-ventilated area or a fume hood to minimize the risk of inhalation. In case of a spill, it should be cleaned up immediately using appropriate absorbent materials. Always refer to the Material Safety Data Sheet (MSDS) for detailed handling and disposal information.