4,4'-Isopropylidenediphenoxyacetic Acid

Base Information

• Chemical Name: 4,4'-Isopropylidenediphenoxyacetic Acid
• CAS No.: 3539-42-2
• Molecular Formula: C19H20O6
• Molecular Weight: 344.364
• Hs Code.: 2918990090
• European Community (EC) Number: 679-828-5
• DSSTox Substance ID: DTXSID30493966
• Nikkaji Number: J208.644A
• Wikidata: Q82340993
• Mol file: 3539-42-2.mol

Synonyms:3539-42-2;4,4'-Isopropylidenediphenoxyacetic Acid;2-[4-[2-[4-(carboxymethoxy)phenyl]propan-2-yl]phenoxy]acetic acid;2,2'-((Propane-2,2-diylbis(4,1-phenylene))bis(oxy))diacetic acid;Bisphenol A O,O-Diacetic Acid;SCHEMBL3389094;DTXSID30493966;ZYGPJSLWIIMUMO-UHFFFAOYSA-N;MFCD00060114;FT-0634893;I0356;T72351;2,2'-{Propane-2,2-diylbis[(4,1-phenylene)oxy]}diacetic acid;4-[1-(4-Carboxymethoxyphenyl)-1-methylethyl]phenoxyacetic acid;4-[1-(4-Carboxymethoxyphenyl)-1-methylethyl]phenoxy-acetic Acid;2,2'-(4,4'-(propane-2,2-diyl)bis(4,1-phenylene))bis(oxy)diacetic acid

Chemical Property of 4,4'-Isopropylidenediphenoxyacetic Acid

Chemical Property:

• Melting Point: 179 °C
• Boiling Point: 542.8 °C at 760 mmHg
• PKA: 2.90±0.10(Predicted)
• Flash Point: 193.9 °C
• PSA: 93.06000
• Density: 1.261 /cm³
• LogP: 2.93930
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 344.12598835
• Heavy Atom Count: 25
• Complexity: 405

Purity/Quality:

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

4,4'-Isopropylidenediphenoxyacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4'-Isopropylidenediphenoxyacetic Acid

There total 5 articles about 4,4'-Isopropylidenediphenoxyacetic 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%

2,2-bis-(p-ethoxycarbonylmethoxyphenyl)propane (42031-02-7) → 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid (3539-42-2)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; ethanol; for 4h; Ambient temperature;

DOI:10.1021/ja00155a006

Reference yield: 91.0%

BPA (80-05-7) + sodium monochloroacetic acid (3926-62-3) → 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid (3539-42-2)

Guidance literature:

BPA; With potassium iodide; sodium hydroxide; In ethanol; at 90 ℃; for 0.5h; pH=10 - 12;

sodium monochloroacetic acid; With ethanol; at 110 ℃; for 6.5h; pH=10 - 12;

Reference yield:

BPA (80-05-7) → 2,2'-[isopropylidenebis(1,4-phenyleneoxy)]diacetic acid (3539-42-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 84 percent / K₂CO₃, NaI / acetone / 10 h / Heating

2: 97 percent / KOH / ethanol; tetrahydrofuran / 4 h / Ambient temperature

With potassium hydroxide; potassium carbonate; sodium iodide; In tetrahydrofuran; ethanol; acetone;

DOI:10.1021/ja00155a006

upstream raw materials:

BPA

chloroacetic acid

sodium monochloroacetic acid

2,2-bis-(p-ethoxycarbonylmethoxyphenyl)propane

Downstream raw materials:

Isopropyliden-bis-(p-phenylenoxyessigsaeure-n-butylester)

2,2-bis-[4-(4-nitrobenzylamino)carbonylmethoxyphenyl]propane

BPA

[Cd(4,4'-(isopropylidenebis(p-phenyleneoxy))diacetato)(H₂O)2](n)