(2S)-5-(Cyclohexyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid

Basic Information

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CAS Number

73821-97-3

Molecular Formula

C16H27NO6

Molecular Weight

329.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

54-57 ºC

Boiling Point

502.6°C at 760 mmHg

Density

1.16

Flash Point

257.8±28.7 °C

Refractive Index

1.497

SMILES

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CC(C)(C)OC(=O)NC(CCC(=O)OC1CCCCC1)C(=O)O

InChI

InChI=1S/C16H27NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-10-13(18)22-11-7-5-4-6-8-11/h11-12H,4-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1

InChIKey

FDNMLANBNJDIRG-LBPRGKRZSA-N

LogP

2.6204

Topological Polar Surface Area

101.92999999999999 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

423

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

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

5-Cyclohexyl N-(tert-Butoxycarbonyl)-L-glutamate
Boc-L-glutamic acid 5-cyclohexyl ester
(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
MFCD00065570
CS-W013936
(S)-2-(tert-butoxycarbonylamino)-5-(cyclohexyloxy)-5-oxopentanoic acid
HY-W013220
Boc-Glu(OcHx)-OH
73821-97-3
SCHEMBL19296747
AKOS015892687
DS-13749
5-Cyclohexyl hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate
N-alpha-t-Butyloxycarbonyl-L-glutamic acid gamma-cyclohexylester (Boc-L-Glu(OcHex)-OH)
Boc-Glu(OcHex)-OH
DTXSID501165402
AKOS015924144
(S)-2-((tert-Butoxycarbonyl)amino)-5-(cyclohexyloxy)-5-oxopentanoic acid
N-Boc-L-glutamic Acid 5-Cyclohexyl Ester
N-(tert-Butoxycarbonyl)-L-glutamic Acid 5-Cyclohexyl Ester
B2179
(2S)-2-[(tert-Butoxycarbonyl)amino]-5-(cyclohexyloxy)-5-oxopentanoic acid, AldrichCPR
FD21379
M03283
5-Cyclohexyl N-Boc-L-glutamate
boc-L-glutamic acid 5-cyclohexyl ester
N-T-boc-L-glutamic acid gamma-*cyclohexyl ester F
N-alpha-t-butyloxycabonyl-L-glutamic acid gamma-cyclohexylester
Boc-Clu(OcHx)-OH
BOC-L-GLU(CHX)-OH
Boc-Glu(Ochx)-OH

MDL Number

MFCD00065570

FAQ

What are the physical and chemical properties of (2S)-5-(Cyclohexyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid (CAS: 73821-97-3)?

(2S)-5-(Cyclohexyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid is a crystalline compound with a molecular weight of approximately 304.43 g/mol. It has a moderate solubility in water and is practically insoluble in nonpolar solvents. The compound is reactive towards ester hydrolysis and can undergo amide hydrolysis under basic conditions. It has a melting point of around 140-145°C and a density of approximately 1.15 g/cm³.

How is (2S)-5-(Cyclohexyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid (CAS: 73821-97-3) typically synthesized?

(2S)-5-(Cyclohexyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid can be synthesized through a multi-step process involving protection, esterification, and deprotection. The synthesis typically uses acetic anhydride and sodium hydroxide as key reagents. The yield is around 75-80%, and the purity can be increased by recrystallization from ethanol.

What industries use (2S)-5-(Cyclohexyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid (CAS: 73821-97-3)?

(2S)-5-(Cyclohexyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid is primarily used in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of various biologically active compounds and is also utilized in polymer synthesis and as a sensor material due to its unique functional groups.

What precautions should be taken when handling (2S)-5-(Cyclohexyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid (CAS: 73821-97-3)?

When handling (2S)-5-(Cyclohexyloxy)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid, it is essential 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 direct sunlight and flammable materials. Spills should be cleaned up with care, using an appropriate absorbent material. Always refer to the safety data sheet (SDS) for detailed handling instructions and emergency procedures.