N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(2-methyl-2-propanyl)-L-cysteine

Basic Information

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CAS Number

67436-13-9

Molecular Formula

C22H25NO4S

Molecular Weight

399.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

136.0 to 140.0 deg-C

Boiling Point

603.4°C at 760 mmHg

Density

1.2370

Flash Point

318.7 °C

Refractive Index

1.599

SMILES

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CC(C)(C)SCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChI

InChI=1S/C22H25NO4S/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1

InChIKey

IXAYZHCPEYTWHW-IBGZPJMESA-N

LogP

4.510000000000003

Topological Polar Surface Area

75.63 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

539

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(2R)-3-(tert-butylsulfanyl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
FMOC-(R)-2-AMINO-3-(S-T-BUTYLTHIO)BUTANOIC ACID
HY-W009008
N-Fmoc-S-(tert-butyl)-L-cysteine
Fmoc-S-tert-butyl-L-cysteine
N-Fmoc-S-tert-butyl-L-cysteine
Fmoc-Cys(tBu)-OH, >=98.0% (HPLC)
PD196644
(2R)-3-(tert-butylthio)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]propanoic acid
EN300-70202
AKOS015906316
MFCD00037130
CHEMBL4634004
FMOC-L-CYS(T-BUTHIO)-OH
AKOS015837272
Z1123826136
Fmoc-S-t-butyl-L-cysteine
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(tert-butyl)-L-cysteine
F0972
(2R)-3-tert-butylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CS-W009724
Fmoc-S-tert.butyl-L-cysteine
AM81675
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-(tert-butyl)-L-cysteine
(R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(tert-butylthio)propanoic acid
A835750
AS-37745
67436-13-9
SCHEMBL119702
Fmoc-Cys(tBu)-OH
N-(9-Fluorenylmethyloxycarbonyl)-S-tert-butyl-L-cysteine

MDL Number

MFCD00037130

Customs Code

2930909090

FAQ

What are the physical and chemical properties of N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(2-methyl-2-propanyl)-L-cysteine (CAS: 67436-13-9)?

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(2-methyl-2-propanyl)-L-cysteine (CAS: 67436-13-9) has a crystalline form and a molecular weight of approximately 535.46 g/mol. It is poorly soluble in water but soluble in organic solvents. The compound is reactive due to its cysteine structure, making it useful in various chemical reactions. It has a melting point of around 240-245°C.

How is N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(2-methyl-2-propanyl)-L-cysteine (CAS: 67436-13-9) typically synthesized?

This compound is typically synthesized through a multistep process involving protection, modification, and deprotection of cysteine. Common synthetic routes include peptide coupling methods using fluorenylmethoxycarbonyl (Fmoc) chemistry, followed by desilylation and deprotection steps. The overall yield is moderate, and selectivity is good for the targeted modifications.

What industries use N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(2-methyl-2-propanyl)-L-cysteine (CAS: 67436-13-9)?

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(2-methyl-2-propanyl)-L-cysteine (CAS: 67436-13-9) is used in the pharmaceutical industry for drug synthesis and in the polymer industry for the development of novel materials. It also finds applications in sensors for its reactivity and in the semiconductor industry for its unique chemical properties.

What precautions should be taken when handling N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(2-methyl-2-propanyl)-L-cysteine (CAS: 67436-13-9)?

When handling N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(2-methyl-2-propanyl)-L-cysteine (CAS: 67436-13-9), ensure proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to minimize exposure. Store the compound in a cool, dry place away from direct sunlight. In case of spill, follow the safety data sheet (SDS) guidelines for disposal. Always refer to the latest SDS for detailed safety information.