78955-90-5

Basic information

• Product Name: Methyl 4-chloro-2-methoxybenzoate
• Synonyms: Methyl 4-chloro-2-methoxybenzoate;4-chloro-2-Methoxy-benzoicacidMethylester
• CAS NO: 78955-90-5
• Molecular Formula: C₉H₉ClO₃
• Molecular Weight: 200.62
• Product Categories: blocks;Carboxes
• Mol File: 78955-90-5.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 271.4 °C at 760 mmHg
• Flash Point: 113.6 °C
• Appearance: /
• Density: 1.228 g/cm³
• Vapor Pressure: 0.00648mmHg at 25°C
• Refractive Index: 1.519
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: Methyl 4-chloro-2-methoxybenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 4-chloro-2-methoxybenzoate(78955-90-5)
• EPA Substance Registry System: Methyl 4-chloro-2-methoxybenzoate(78955-90-5)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 78955-90-5(Hazardous Substances Data)

Usage

General Description

Methyl 4-chloro-2-methoxybenzoate is a chemical compound with the molecular formula C9H9ClO3. It is a type of ester, which means it is derived from the reaction between an alcohol and an acid. Methyl 4-chloro-2-methoxybenzoate is commonly used as a pesticide or herbicide in agricultural applications to control the growth of unwanted plants. It has a white crystalline appearance and a slightly sweet, fruity odor. Methyl 4-chloro-2-methoxybenzoate is also used as an intermediate in the synthesis of pharmaceutical compounds. However, it is important to handle this chemical with care as it can be toxic if ingested or inhaled and can cause irritation to the skin and eyes.

InChI:InChI=1/C9H9ClO3/c1-12-8-5-6(10)3-4-7(8)9(11)13-2/h3-5H,1-2H3

Upstream product

• 5106-98-9 4-chlorosalicylic acid 
• 77-78-1 dimethyl sulfate 
• 74-88-4 methyl iodide 
• 67-56-1 methanol 
• 57479-70-6 2-methoxy-4-chlorobenzoic acid 
• 22717-55-1 methyl 4-chloro-2-hydroxybenzoate 

Downstream Products

• 57479-70-6 2-methoxy-4-chlorobenzoic acid 
• 198351-08-5 8-Allyl-2-(4-chloro-2-methoxy-phenyl)-chromen-4-one 
• 878465-96-4 4-chloro-2-methoxybenzohydrazide 
• 90296-27-8 (4-chloro-2-methoxy-phenyl)methanol 
• 545436-74-6 1-(4-chloro-2-methoxy-phenyl)-2-diazo-ethanone 
• 175152-70-2 methyl 3-methoxy-[1,1‘-biphenyl]-4-carboxylate 
• 53581-86-5 4-chloro-2-methoxybenzaldehyde 
• 94319-98-9 N-(2-aminoethyl)-4-chloro-2-anisamide hydrochloride 
• 902137-24-0 methyl 4-ethyl-2-methoxybenzoate 
• 76283-12-0 1-(bromomethyl)-4-chloro-2-methoxybenzene 
• 175153-18-1 3-(methyloxy)-4-biphenylcarboxylic acid 
• 896127-80-3 (4-chloro-2-methoxyphenyl)methanamine 

Relevant articles and documents

Design, synthesis, and preliminary biological evaluation of 3′,4′,5′-trimethoxy flavonoid salicylate derivatives as potential anti-tumor agents

According to the pharmacophore combination principle, a set of new 3′,4′,5′-trimethoxy flavonoid salicylate derivatives were designed, synthesized, and evaluated for biological activity. The cytotoxicity evaluation revealed that compound 10v exhibited higher potency than 5-Fu against HCT-116 cells. Preliminary biological activity studies showed that compound 10v could inhibit the colony formation and migration of HCT-116 cells. Besides, the Hoechst 33258 staining assay and flow cytometry revealed that treatment with compound 10v induced the apoptosis of HCT-116 cells in a concentration-dependent manner, while it had no effect on their cell cycle. The WB analysis suggested that HIF-1α, tubulin, HK-2, and PFK might be the potential pharmacophore targets of compound 10v. Tubulin was a potential drug target for compound 10v, which was explained by analyzing the crystal structure of compound 10v complexed with tubulin. These results indicated that compound 10v might be a promising anti-tumor agent candidate, deserving further optimization and evaluation.

N-Arylsulfonyl Indolines as Retinoic Acid Receptor-Related Orphan Receptor γ (RORγ) Agonists

The nuclear retinoic acid receptor-related orphan receptor γ (RORγ; NR1F3) is a key regulator of inflammatory gene programs involved in T helper 17 (TH17) cell proliferation. As such, synthetic small-molecule repressors (inverse agonists) targeting RORγ have been extensively studied for their potential as therapeutic agents for various autoimmune diseases. Alternatively, enhancing TH17 cell proliferation through activation (agonism) of RORγ may boost an immune response, thereby offering a potentially new approach in cancer immunotherapy. Herein we describe the development of N-arylsulfonyl indolines as RORγ agonists. Structure–activity studies reveal a critical linker region in these molecules as the major determinant for agonism. Hydrogen/deuterium exchange coupled to mass spectrometry (HDX-MS) analysis of RORγ–ligand complexes help rationalize the observed results.

Modulation on C- and N-terminal moieties of a series of potent and selective linear tachykinin NK2 receptor antagonists

Herein we describe the synthesis of a series of new potent tachykinin NK2 receptor antagonists by the modulation of the Cand N-terminal moieties of ibodutant (MEN 15596, 1). The Nterminal benzo[b]thiophene ring was replaced by different substituted naphthalenes and benzofurans, while further modifications were evaluated at the C-terminal tetrahydropyran moiety. Most compounds demonstrated a high affinity for the human NK2 receptor and high in vitro antagonist potency, indicating that a wide range of substituents at both termini can be incorporated in the molecule without detrimental effects on the interactions with the NK2 receptor. Selected compounds were tested in vivo confirming their activity as NK2 antagonists. In particular, after both iv and id administration to guinea pig, compound 61b was able to antagonize NK2-induced colonic contractions with a potency and duration-of-action fully comparable to the reference compound 1 (MEN 15596, ibodutant).