S-(4-Methylbenzyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine

Basic Information

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CAS Number

61925-77-7

Molecular Formula

C16H23NO4S

Molecular Weight

325.43 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

63-66°C

Density

1.182

Refractive Index

1.551

Specific Rotation

-34 º (c=2 in methanol)

SMILES

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CC1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H23NO4S/c1-11-5-7-12(8-6-11)9-22-10-13(14(18)19)17-15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m0/s1

InChIKey

CUNVVZWSABRKAL-ZDUSSCGKSA-N

LogP

3.206120000000002

Topological Polar Surface Area

75.63000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

373

Safety Information

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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

Boc-L-Cys(pMeBzl)-OH
M03274
(2R)-2-(tert-Butoxycarbonylamino)-3-(4-methylbenzylthio)propionic acid
Nalpha-tert-butoxycarbonyl-S-(4-methylbenzyl)-L-cysteine
CS-0136339
Boc-L-Cys(p-MeBzl)-OH
FD21259
Boc-Cys(CH3Bzl)-OH
Boc-Cys(Mbzl)-OH, >=96.0% (HPLC)
N-alpha-t-Butyloxycarbonyl-S-(4-methyl-benzyl)-L-cysteine
61925-77-7
(R)-2-(tert-butoxycarbonylamino)-3-(4-methylbenzylthio)propanoic acid
N-(tert-Butoxycarbonyl)-S-(4-methylbenzyl)-L-cysteine
L-Cysteine,N-[(1,1-dimethylethoxy)carbonyl]-S-[(4-methylphenyl)methyl]-
N-t-butyloxycarbonyl-S-(4-methylbenzyl)-L-cysteine
AS-11793
AM81660
Boc--HoAsn-OH Boc--homoasparagine
Boc-Cys(pMeBzl)-OH
Boc-Cys(Mbzl)-OH
AKOS015924254
CUNVVZWSABRKAL-ZDUSSCGKSA-N
MFCD00038517
Boc-S-p-methylbenzyl-L-cysteine
SCHEMBL4422552
AKOS015897339
N-t-butyloxycarbonyl-S -(4-methylbenzyl)-L-cysteine
Boc-S-(4-methylbenzyl)-L-cysteine
N-tert-Butoxycarbonyl-S-(4-methylbenzyl)-L-cysteine
Boc-Cys(4-Mbzl)-OHBoc-S-p-methylbenzyl-L-cysteine
Boc-L-Cys(MBzl)-OH

MDL Number

MFCD00038517

Customs Code

2930909090

FAQ

What are the physical and chemical properties of S-(4-Methylbenzyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine (CAS: 61925-77-7)?

S-(4-Methylbenzyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine is a white crystalline compound with a molecular weight of approximately 341.39 g/mol. It has a low solubility in water and is reactive towards nucleophiles. The compound exhibits good stability under normal temperature and pressure conditions, but should be stored away from moisture and heat. This compound is used in various applications requiring specific chemical properties.

How is S-(4-Methylbenzyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine (CAS: 61925-77-7) typically synthesized?

S-(4-Methylbenzyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine can be synthesized through a multi-step process involving the protection of cysteine, followed by alkylation with 4-methylbenzyl chloride, and subsequent deprotection. Common catalysts include triethylamine, and the reaction is typically carried out in anhydrous conditions to maximize yield and selectivity. This process requires careful control of reaction conditions to achieve the desired product.

What industries use S-(4-Methylbenzyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine (CAS: 61925-77-7)?

S-(4-Methylbenzyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine finds application in the pharmaceutical industry for medicinal chemistry and as a building block in the synthesis of more complex molecules. It is also utilized in the polymer industry for the development of novel materials with specific properties. Additionally, this compound is used in the manufacturing of sensors and as a component in semiconductors due to its unique chemical characteristics.

What precautions should be taken when handling S-(4-Methylbenzyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine (CAS: 61925-77-7)?

When handling S-(4-Methylbenzyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-cysteine, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a cool, dry place away from moisture and heat sources. In the event of a spill, it should be carefully cleaned up using appropriate absorbent materials, and the area should be well-ventilated. For more detailed safety information, consult the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS).