2-(Phenoxymethyl)benzoic acid

Base Information

• Chemical Name: 2-(Phenoxymethyl)benzoic acid
• CAS No.: 724-98-1
• Molecular Formula: C14H12O3
• Molecular Weight: 228.247
• Hs Code.: 2918990090
• European Community (EC) Number: 211-967-5
• UNII: NW1F23EG53
• DSSTox Substance ID: DTXSID7038781
• Nikkaji Number: J134.925B
• Wikidata: Q27285079
• ChEMBL ID: CHEMBL2098161
• Mol file: 724-98-1.mol

Synonyms:2-(Phenoxymethyl)benzoic acid;724-98-1;2-Phenoxymethylbenzoic acid;Benzoic acid, 2-(phenoxymethyl)-;alpha-Phenoxy-o-toluic Acid;2-(Phenoxymethyl)benzoicacid;UNII-NW1F23EG53;o-(Phenoxymethyl)benzoic acid;NW1F23EG53;o-Toluic acid, .alpha.-phenoxy-;EINECS 211-967-5;phenoxymethylbenzoic acid;SCHEMBL1368181;CHEMBL2098161;DTXSID7038781;TCMDC-142367;MFCD00020294;SKF-18326;AKOS000121185;TS-00577;CS-0196422;FT-0613291;P0905;EN300-21189;D92039;AB00757107-01;A837545;W-104486;Q27285079;Z104493630

Chemical Property of 2-(Phenoxymethyl)benzoic acid

Chemical Property:

• Vapor Pressure: 7.29E-07mmHg at 25°C
• Melting Point: 126°C
• Boiling Point: 392.5 °C at 760 mmHg
• PKA: 3.85±0.36(Predicted)
• Flash Point: 150.6 °C
• PSA: 46.53000
• Density: 1.222 g/cm³
• LogP: 2.96380
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 246

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Phenoxymethylbenzoic Acid >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)O

Technology Process of 2-(Phenoxymethyl)benzoic acid

There total 27 articles about 2-(Phenoxymethyl)benzoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

methyl 2-(phenoxymethyl)benzoate (866996-44-3) → 2-(phenoxymethyl)benzoic acid (724-98-1)

Guidance literature:

With methanol; potassium hydroxide; at 30 - 60 ℃; for 1h;

Reference yield: 74.0%

2-(phenoxymethyl)benzaldehyde (168551-49-3) → 2-(phenoxymethyl)benzoic acid (724-98-1)

Guidance literature:

With sodium t-butanolate; In tetrahydrofuran; at 20 ℃; for 1h;

Reference yield: 70.8%

2-benzofuran-1(3H)-one (87-41-2) + phenol (108-95-2,27073-41-2) → 2-(phenoxymethyl)benzoic acid (724-98-1)

Guidance literature:

phenol; With sodium hydride; In N,N-dimethyl-formamide;

2-benzofuran-1(3H)-one; In N,N-dimethyl-formamide; benzene; for 24h; Heating;

upstream raw materials:

1-bromo-2-(phenoxymethyl)benzene

methyl 2-(phenoxymethyl)benzoate

2-benzofuran-1(3H)-one

sodium phenoxide

Downstream raw materials:

C₃₃H₄₃NO₄S

(R)-2-(2-(phenoxymethyl)benzamido)-3-(((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)thio)propanoic acid

doxepin

11-(4-Methylpiperazino)-6,11-dihydrodibenzooxepin

Refernces

• 1、 Bleotu, Coralia,Diaconu, Carmen Cristina,Hanganu, Anamaria,Ionita, Petre,Limban, Carmen,Matei, Lilia,Nemes, Roxana Maria,Nicolau, Ioana,Nuta, Diana Camelia,P?un, Anca,Radulescu, Cristiana,Tatibou?t, Arnaud,Zarafu, Irina. "Synthesis, characterization, and biologic activity of new acyl hydrazides and 1,3,4-oxadiazole derivatives". . . Retrieved 2020/08/28.
• 2、 -. "Synthetic method of doxepin hydrochloride adopting o-halogen methyl benzoate as raw material". Paragraph 0083; 0086. . Retrieved 2016/10/07.