4-(4-Methoxyphenoxy)benzoic acid

Base Information

• Chemical Name: 4-(4-Methoxyphenoxy)benzoic acid
• CAS No.: 3525-22-2
• Molecular Formula: C14H12 O4
• Molecular Weight: 244.247
• Hs Code.: 2918990090
• European Community (EC) Number: 625-226-2
• DSSTox Substance ID: DTXSID00408522
• Nikkaji Number: J1.146.002J
• Wikidata: Q82214022
• Mol file: 3525-22-2.mol

Synonyms:4-(4-Methoxyphenoxy)benzoic acid;3525-22-2;4-(4-Methoxyphenoxy)benzoic acid 97;SCHEMBL2511835;4-(4-Methoxyphenoxy)benzoicacid;DTXSID00408522;COMKNVCMWUGEPO-UHFFFAOYSA-N;MFCD02272298;AKOS000113525;AT14820;4-(4-Methoxyphenoxy)benzoic acid, 97%;AC-18583;BS-23173;CS-0204529;FT-0728230;EN300-151052

Chemical Property of 4-(4-Methoxyphenoxy)benzoic acid

Chemical Property:

• Vapor Pressure: 3.74E-07mmHg at 25°C
• Melting Point: 178-183 °C
• Refractive Index: 1.589
• Boiling Point: 401.1°C at 760 mmHg
• Flash Point: 152.8°C
• PSA: 55.76000
• Density: 1.242g/cm³
• LogP: 3.18570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 244.07355886
• Heavy Atom Count: 18
• Complexity: 263

Purity/Quality:

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

4-(4-Methoxyphenoxy)benzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-43-50/53
• Safety Statements: 36/37-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O

Technology Process of 4-(4-Methoxyphenoxy)benzoic acid

There total 27 articles about 4-(4-Methoxyphenoxy)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: 94.0%

4-methoxy-4'-ethoxycarbonyl-diphenyl ether (50793-28-7) → 4'-(4-methoxyphenoxy)benzoic acid (3525-22-2)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 70 ℃; for 3h;

Reference yield: 90.0%

methyl 4-(4-methoxyphenoxy)benzoate (38342-84-6) → 4'-(4-methoxyphenoxy)benzoic acid (3525-22-2)

Guidance literature:

With lithium hydroxide monohydrate; In tetrahydrofuran; water; at 40 ℃; for 3h;

DOI:10.1002/anie.201814272

Reference yield:

1-iodo-4-(4-methoxyphenoxy)benzene (26002-36-8) → 4'-(4-methoxyphenoxy)benzoic acid (3525-22-2)

Guidance literature:

With n-butyllithium; diethyl ether; Aufgiessen der Reaktionsmischung auf festes Kohlendioxid;

DOI:10.1021/ja01847a053

upstream raw materials:

Ethyl 4-hydroxybenzoate

1-bromo-4-methoxy-benzene

n-butyllithium

diethyl ether

Downstream raw materials:

ethyl 4-(4-hydroxyphenoxy)benzoate

4-(4-methoxy-phenoxy)-benzoic acid hydrazide

N-(1S)-1-{[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-methyl}-2-methylpropyl-4-(4-hydroxyphenoxy)benzamide

N-(1S)-1-{[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-methyl}-2-methylpropyl-4-(4-methoxyphenoxy)benzamide

Refernces

• 1、 -. "COMPOUNDS FOR TREATING VIRAL INFECTIONS". . . Retrieved 2015/11/09.
• 2、 Sun, Chi-Yu,Li, Yang-Sheng,Shi, Ai-Long,Li, Ya-Fei,Cao, Rui-Fang,Ding, Huai-Wei,Yin, Qing-Qing,Zhang, Li-Juan,Zheng, Hua-Chuan,Song, Hong-Rui. "Synthesis and antiproliferative activity of novel 4-substituted-phenoxy-benzamide derivatives". . p. 1307 - 1310. Retrieved 2015/12/31.