724-98-1

Basic information

• Product Name: 2-(Phenoxymethyl)benzoic acid
• Synonyms: 2-(phenoxymethyl)-benzoicaci;Benzoic acid, 2-(phenoxymethyl)-;TIMTEC-BB SBB008075;ALPHA-PHENOXY-O-TOLUIC ACID;2-(PHENOXYMETHYL)BENZOIC ACID;o-(phenoxymethyl)benzoic acid;α-Phenoxy-o-toluic acid;EINECS 211-967-5
• CAS NO: 724-98-1
• Molecular Formula: C₁₄H₁₂O₃
• Molecular Weight: 228.24
• EINECS: 211-967-5
• Product Categories: Organic acids
• Mol File: 724-98-1.mol
• Article Data: 15

Chemical Properties

• Melting Point: 126°C
• Boiling Point: 392.5 °C at 760 mmHg
• Flash Point: 150.6 °C
• Appearance: /
• Density: 1.222 g/cm³
• Vapor Pressure: 7.29E-07mmHg at 25°C
• PKA: 3.85±0.36(Predicted)
• CAS DataBase Reference: 2-(Phenoxymethyl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(Phenoxymethyl)benzoic acid(724-98-1)
• EPA Substance Registry System: 2-(Phenoxymethyl)benzoic acid(724-98-1)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• TSCA: Yes
• Hazardous Substances Data: 724-98-1(Hazardous Substances Data)

Usage

General Description

2-(Phenoxymethyl)benzoic acid is a chemical compound with the molecular formula C15H14O4. It is a derivative of benzoic acid, where a phenoxymethyl group is attached to the benzene ring. 2-(Phenoxymethyl)benzoic acid has potential pharmaceutical applications due to its anti-inflammatory and analgesic properties. It is also used in the synthesis of various organic compounds. 2-(Phenoxymethyl)benzoic acid is a white crystalline powder that is sparingly soluble in water and soluble in organic solvents. It is important to handle this compound with care, as it may cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C14H12O3/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12/h1-9H,10H2,(H,15,16)/p-1

Upstream product

• 168551-49-3 2-(phenoxymethyl)benzaldehyde 
• 4122-56-9 methyl o-formylbenzoate 
• 87-41-2 2-benzofuran-1(3H)-one 
• 100-67-4 potassium phenolate 
• 4504-85-2 2-Phenoxymethyl-benzoic acid ethyl ester 
• 7115-91-5 2-ethoxycarbonylbenzyl bromide 
• 87-24-1 ethyl 2-methylbenzoate 
• 118-90-1 ortho-methylbenzoic acid 
• 612-20-4 2-(hydroxymethyl)benzoic acid 
• 643-79-8 o-phthalic dicarboxaldehyde 
• 34040-62-5 o-(chloromethyl)benzoic acid methyl ester 
• 89-71-4 2-Methyl-benzoic acid methyl ester 
• 578-51-8 2-bromobenzylchloride 
• 18982-54-2 o-bromobenzyl alcohol 

Downstream Products

• 34904-98-8 2-phenoxymethyl-benzyl alcohol 
• 87-41-2 2-benzofuran-1(3H)-one 
• 108-95-2 phenol 
• 21733-94-8 2-phenoxymethylbenzoyl chloride 
• 1354017-80-3 C₃₃H₄₃NO₄S 
• 1354017-70-1 (R)-2-(2-(phenoxymethyl)benzamido)-3-(((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)thio)propanoic acid 
• 1668-19-5 doxepin 
• 27678-61-1 11-(4-Methylpiperazino)-6,11-dihydrodibenzooxepin 
• 3607-34-9 (E)-doxepin 
• 1668-19-5 (Z)-doxepin 
• 77175-92-9 (2-chloromethyl-benzyl)-phenyl ether 
• 139305-71-8 1-(6,11-Dihydro-dibenzo[b,e]oxepin-11-yl)-4-(3-phenyl-prop-2-ynyl)-piperazine; compound with (Z)-but-2-enedioic acid 
• 114312-42-4 1-(6,11-Dihydro-dibenzo[b,e]oxepin-11-yl)-4-((E)-3-phenyl-allyl)-piperazine; compound with (Z)-but-2-enedioic acid 
• 1229-29-4 doxepin hydrochloride 

Relevant articles and documents

Preparation method of benzyl aryl ether and application of benzyl aryl ether in synthesis

and, 6-dihydrodibenzo [11 - b] oxazepine e -11 - ketone compounds are synthesized through a one-step reaction of benzaldehyde compounds and phenolic compounds through one-step reaction. The benzyl aryl ether and 6 and 11 -dihydrodibenzo [b, e] oxazepine -11 - ketone compound respectively have a chemical structure formula shown in a formula I and II. The invention discloses a synthesis method of the compound. Benzaldehyde compound After completion of the reaction, I, 6-dihydrodibenzo [11 - b] oxazepine e ketone compound -11 - can be synthesized through an oxidation or hydrolysis step and a ring closing step after the reaction is complete II.

Iron(II) promoted direct synthesis of dibenzo[b,e]oxepin-11(6H)-one derivatives with biological activity. A short synthesis of doxepin

A novel and efficient synthesis of dibenzo[b,e]oxepin-11(6H)-ones by direct intramolecular ortho-acylation from readily available 2-(phenoxymethyl)benzoic acids was developed. The method takes advantage of a newly developed cooperative system consisting of sustainable FeCl2 and Cl2CHOCH3 as the key components. This methodology is compatible with a wide variety of functional groups in good to excellent yields and high regioselectivity. The synthetic application of new protocol was extended to the synthesis of known tricyclic drug doxepin as well as a small library of oxepin based derivatives. For the first time, the obtained dibenzo[b,e]oxepinone derivatives were evaluated for their biological activities on the free-living nematode Caenorhabditis elegans as an effective and cost-efficient model system for anthelmintic discovery.

A to phthaldialdehyde as the raw material to synthesize method of doxepin hydrochloride (by machine translation)

This invention discloses in a to phthaldialdehyde as the raw material to synthesize method of doxepin hydrochloride. The method comprises in a wide range of sources phthaldialdehyde as the starting material, reaction by sequentially connie Zha Luo, intramolecular esterification, substituted, cyclized, nucleophilic addition, elimination reactions, nucleophilic substitution, pro-nuclear substituted, and in the reaction, to obtain liu Danhuang pyridine. In section 8 step in the nucleophilic substitution reaction steps, yu Mi using organic lithium compound in the solvent, so that the organic compound forming ammonium lithium salt with dimethylamine , Then this ammonium lithium salt for carrying out the alkylation reaction with halo, improve the yield of the addition, the ultimate so as to guarantee the yield and purity of doxepin hydrochloride. Phthaldialdehyde cheap, so as to reduce the production cost. (by machine translation)