3-(4-Methoxyphenoxy)-2-(4-(4-methoxyphenoxy)phenyl)-3-oxopropanoic acid

Base Information

• Chemical Name: 3-(4-Methoxyphenoxy)-2-(4-(4-methoxyphenoxy)phenyl)-3-oxopropanoic acid
• CAS No.: 70175-90-5
• Molecular Formula: C23H20O7
• Molecular Weight: 436.461
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID00703509
• Mol file: 70175-90-5.mol

Synonyms:70175-90-5;3-(4-Methoxyphenoxy)-2-(4-(4-methoxyphenoxy)phenyl)-3-oxopropanoic acid;3-(4-methoxyphenoxy)-2-[4-(4-methoxyphenoxy)phenyl]-3-oxopropanoic acid;3-(4-Methoxyphenoxy)-2-(4-(4-methoxyphenoxy)-phenyl)-3-oxopropanoic acid;CTK5D1955;DTXSID00703509;AKOS015896527;FT-0698870;A836794;3-(4-Methoxyphenoxy)-2-(4-(4-methoxyphenoxy)phenyl)-3-oxopropanoicacid;3-(4-methoxyphenoxy)-2-[4-(4-methoxyphenoxy)phenyl]-3-oxidanylidene-propanoic acid;Methoxyphenyl)methoxy]phenyl]propanedioic acid 1-[(4-methoxyphenyl)methyl] ester

Chemical Property of 3-(4-Methoxyphenoxy)-2-(4-(4-methoxyphenoxy)phenyl)-3-oxopropanoic acid

Chemical Property:

• PSA: 91.29000
• Density: 1.255
• LogP: 4.26990
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 408.12090297
• Heavy Atom Count: 30
• Complexity: 542

Purity/Quality:

99% ^*data from raw suppliers

3-(4-Methoxyphenoxy)-2-(4-(4-methoxyphenoxy)-phenyl)-3-oxopropanoic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C(=O)O)C(=O)OC3=CC=C(C=C3)OC

Technology Process of 3-(4-Methoxyphenoxy)-2-(4-(4-methoxyphenoxy)phenyl)-3-oxopropanoic acid

There total 3 articles about 3-(4-Methoxyphenoxy)-2-(4-(4-methoxyphenoxy)phenyl)-3-oxopropanoic 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: 95.36%

carbon dioxide (124-38-9,18923-20-1) + 4-(4-methoxybenzyloxy)phenylacetic acid-4-methoxybenzyl ester → 4-(4-methoxybenzyloxy)benzene malonic acid-4-methoxybenzyl monoester (70175-90-5)

Guidance literature:

With sodium hexamethyldisilazane; In toluene; at 80 ℃; Solvent; Temperature;

Reference yield:

4-Methoxybenzyl alcohol (105-13-5) → 4-(4-methoxybenzyloxy)benzene malonic acid-4-methoxybenzyl monoester (70175-90-5)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / 1 h / 80 °C

2: toluene / 1 h / 80 °C

3: sodium hexamethyldisilazane / toluene / 80 °C

With sodium hexamethyldisilazane; In toluene;

Reference yield:

4-hydroxyphenylacetate (156-38-7) → 4-(4-methoxybenzyloxy)benzene malonic acid-4-methoxybenzyl monoester (70175-90-5)

Guidance literature:

Multi-step reaction with 3 steps

1: toluene / 1 h / 80 °C

2: toluene / 1 h / 80 °C

3: sodium hexamethyldisilazane / toluene / 80 °C

With sodium hexamethyldisilazane; In toluene;

upstream raw materials:

4-Methoxybenzyl alcohol

4-hydroxyphenylacetate

carbon dioxide

Downstream raw materials:

(6R,7R)-7-Methoxy-7-{2-(4-methoxy-benzyloxycarbonyl)-2-[4-(4-methoxy-benzyloxy)-phenyl]-acetylamino}-3-(1-methyl-1H-tetrazol-5-ylsulfanylmethyl)-8-oxo-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester

C₂₀H₂₀N₆O₉S

Refernces