4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid

Basic Information

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CAS Number

179162-55-1

Molecular Formula

C21H21NO4

Molecular Weight

351.4 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

Solubility

Insuluble (1.1E-3 g/L) (25 ºC),

SMILES

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CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21NO4/c1-2-3-4-13-25-18-11-9-16(10-12-18)20-14-19(22-26-20)15-5-7-17(8-6-15)21(23)24/h5-12,14H,2-4,13H2,1H3,(H,23,24)

InChIKey

PDTXSIGPZDVVIX-UHFFFAOYSA-N

LogP

5.275800000000005

Topological Polar Surface Area

72.56 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

428

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

Synonyms & References

English

Benzoic acid, 4-[5-[4-(pentyloxy)phenyl]-3-isoxazolyl]-
4-[5-(4-Pentyloxyphenyl)isoxazol-3-yl]benzoic Acid
4-{5-[4-(PENTYLOXY)PHENYL]-1,2-OXAZOL-3-YL}BENZOIC ACID
Micafungin Impurity 3
Micafungin Intermediate 2
4-[5-[4-(Pentyloxy)phenyl]-3-isoxazolyl]benzoic acid
4-(5-(4-(pentyloxy)phenyl)isoxazol-3-yl)benzoic acid
4-[5-(4-Pentyloxy-phenyl)-isoxazol-2-yl]-benzoic acid
4-(5-{4-[(Pent-1-yl)oxy]phenyl}isoxazol-3-yl)benzoicacid
4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid Micafungin InterMediate
4-{5-[4-(Pentyloxy)phenyl]isoxazol-3-yl}benzoic acid
PDTXSIGPZDVVIX-UHFFFAOYSA-N
SB18167
OR305548
AK173365
AM20090710
4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic ac
4-[5-(4-Pentyloxyphenyl)isoxazole-3-yl]benzoic acid
4-[5-(4
XFU5XP8URQ
4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoicacid
A1-01692
4-[5-(4-n-pentyloxyphenyl)isoxazol-3-yl]benzoic acid
DB-113097
CS-0160970
MFCD20267356
A924886
4-{5-[4-(Pentyloxy)phenyl]-1,2-oxazol-3-yl}benzoic acid, 3-(4-Carboxyphenyl)-5-[4-(pentyloxy)phenyl]-1,2-oxazole
F52834
4-(5-{4-[(Pent-1-yl)oxy]phenyl}isoxazol-3-yl)benzoic acid
SCHEMBL2353533

MDL Number

MFCD20267356

FAQ

What regulatory guidelines apply to 4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid (CAS: 179162-55-1)?

4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid (CAS: 179162-55-1) falls under the classification of organic chemicals and may require handling in compliance with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements for safety and environmental protection. Specific guidelines include proper storage, disposal, and labeling as outlined by these regulatory bodies.

Are there alternatives to 4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid (CAS: 179162-55-1) in synthesis?

For synthesizing similar functionalities, there are alternative reagents that can be considered as substitutes, such as 4-(5-(4-(methoxy)phenyl)isoxazol-3-yl)benzoic acid. Researchers often explore isomers and analogs to achieve the desired chemical properties with fewer environmental impacts or regulatory concerns.

What is the market or research trend for 4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid (CAS: 179162-55-1)?

The market trend for 4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid (CAS: 179162-55-1) is driven by its use in drug discovery and pharmaceutical applications. Research is focusing on its potential as a therapeutic agent, with trends showing increased interest in personalized medicine and targeted drug delivery systems. Additionally, there is growing emphasis on sustainable and environmentally friendly synthesis methods.

How should waste containing 4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid (CAS: 179162-55-1) be handled?

Waste containing 4-(5-(4-(Pentyloxy)phenyl)isoxazol-3-yl)benzoic acid (CAS: 179162-55-1) should be collected in appropriate containers and managed according to local regulations. Incineration or professional waste disposal services are recommended to ensure complete degradation and minimize environmental impact. Proper disposal methods should include neutralization if necessary and compliance with environmental protection measures as per the relevant regulatory authorities.