1643-16-9

Basic information

• Product Name: 4-ISOPROPYLPHENOXYACETIC ACID
• Synonyms: LABOTEST-BB LT00454270;4-ISOPROPYLPHENOXYACETIC ACID;AKOS BBB/199;4-ISOPROPYLPHENOXYACETIC ACID, 98+%;2-(4-propan-2-ylphenoxy)ethanoic acid;[(4-Isopropylphenyl)oxy]acetic acid;[[4-(1-Methylethyl)phenyl]oxy]acetic acid
• CAS NO: 1643-16-9
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• Mol File: 1643-16-9.mol
• Article Data: 9

Chemical Properties

• Melting Point: 85-87°C
• Boiling Point: 72-75℃ (3 Torr)
• Flash Point: 120°C
• Appearance: /
• Density: 1.112g/cm³
• Vapor Pressure: 0.000188mmHg at 25°C
• Refractive Index: 1.4980 (589.3 nm 20℃)
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.21±0.10(Predicted)
• BRN: 2261017
• CAS DataBase Reference: 4-ISOPROPYLPHENOXYACETIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-ISOPROPYLPHENOXYACETIC ACID(1643-16-9)
• EPA Substance Registry System: 4-ISOPROPYLPHENOXYACETIC ACID(1643-16-9)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36
• HazardClass: IRRITANT
• Hazardous Substances Data: 1643-16-9(Hazardous Substances Data)

Usage

General Description

4-Isopropylphenoxyacetic acid is a synthetic organic compound with the chemical formula C11H14O3. It is a derivative of phenoxyacetic acid, which is commonly used as a herbicide and plant growth regulator. 4-Isopropylphenoxyacetic acid is used as an intermediate in the synthesis of other compounds and as a raw material for the production of herbicides. It is also used in the manufacture of pharmaceuticals and other organic chemicals. The compound is known for its ability to selectively alter the growth of plants, making it a valuable tool in agriculture and horticulture. Additionally, it is considered to have low toxicity and is generally regarded as safe for use in the environment when applied according to instructions.

InChI:InChI=1/C11H14O3/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13)

Upstream product

• 99-89-8 4-Isopropylphenol 
• 79-11-8 chloroacetic acid 
• 184878-99-7 ethyl (4-isopropylphenoxy)acetate 
• 184878-97-5 methyl (4-(1-methylethyl)phenoxy)acetate 
• 305-53-3 monosodium iodoacetate 
• 1401223-60-6 tert-butyl 2-(4-isopropylphenoxy)acetate 
• 14062-21-6 (4-isopropylphenyl)acetic acid ethyl ester 

Downstream Products

• 173978-79-5 N-(4-isopropyl)phenoxyacetylimidazol 
• 184879-00-3 4,5-dihydro-4,4-dimethyl-2-(4-isopropylphenoxymethyl)oxazole 
• 833480-27-6 N-{4-[5-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-4-(tert-butyl-dimethyl-silanyloxy)-tetrahydro-furan-2-ylamino]-5-nitro-6-oxo-1,6-dihydro-pyrimidin-2-yl}-2-(4-isopropyl-phenoxy)-acetamide 
• 223128-33-4 2-(4-isopropylphenoxy)acetyl chloride 
• 1435933-37-1 C₁₉H₂₅N₃O₃ 
• 631090-46-5 C₃₂H₃₀N₂O₆ 

Relevant articles and documents

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N-aryl 2-aryloxyacetamides as a new class of fatty acid amide hydrolase (FAAH) inhibitors

Fatty acid amide hydrolase (FAAH) is a promising target for the development of drugs to treat neurological diseases. In search of new FAAH inhibitors, we identified 2-(4-cyclohexylphenoxy)-N-(3-(oxazolo[4,5-b]pyridin-2-yl)phenyl)acetamide, 4g, with an IC50 of 2.6 μM as a chemical starting point for the development of potent FAAH inhibitors. Preliminary hit-to-lead optimisation resulted in 2-(4-phenylphenoxy)-N-(3-(oxazolo[4,5-b]pyridin-2-yl)phenyl)acetamide, 4i, with an IC50 of 0.35 μM.

Discovery of potent transient receptor potential vanilloid 1 antagonists: Design and synthesis of phenoxyacetamide derivatives

We aimed to discover a novel type of transient receptor potential vanilloid 1 (TRPV1) antagonist because such antagonists are possible drug candidates for treating various disorders. We modified the structure of hit compound 7 (human TRPV1 IC50 = 411 nM) and converted its pyrrolidino group to a (hydroxyethyl)methylamino group, which substantially improved inhibitory activity (15d; human TRPV1 IC50 = 33 nM). In addition, 15d ameliorated bladder overactivity in rats in vivo.