Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis-

Base Information

• Chemical Name: Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis-
• CAS No.: 3753-05-7
• Molecular Formula: C16H14 O6
• Molecular Weight: 302.284
• Hs Code.: 2918990090
• European Community (EC) Number: 223-155-8
• DSSTox Substance ID: DTXSID4063167
• Nikkaji Number: J382.993F
• Wikidata: Q81990530
• ChEMBL ID: CHEMBL2380550
• Mol file: 3753-05-7.mol

Synonyms:3753-05-7;Ethylene Glycol Bis(4-carboxyphenyl) Ether;4-[2-(4-carboxyphenoxy)ethoxy]benzoic acid;Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis-;1,2-Bis(4-carboxyphenoxy)ethane;4,4'-(Ethane-1,2-diylbis(oxy))dibenzoic acid;Benzoic acid, 4,4'-(1,2-ethanediylbis(oxy))bis-;Ethyleneglycolbiscarboxyphenylether;4,4'-(1,2-Ethanediylbis(oxy))bisbenzoic acid;SCHEMBL196110;CHEMBL2380550;DTXSID4063167;1,2-bis-(4-carboxyphenoxy) ethane;4,4'-(ethylenedioxy)dibenzoic acid;EINECS 223-155-8;MFCD00020365;AKOS024334028;BS-49545;E0415;4,4'-(Ethane-1,2-diylbis(oxy))dibenzoicacid;T72386;4,4'-[1,2-ethanediylbis(oxy)]bis(benzoic acid);Ethylene Glycol Bis(4-carboxyphenyl) Ether, >/=95%

Chemical Property of Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis-

Chemical Property:

• Vapor Pressure: 9.16E-13mmHg at 25°C
• Melting Point: 352-355 °C
• Boiling Point: 546.2°Cat760mmHg
• PKA: 4.10±0.10(Predicted)
• Flash Point: 205.3°C
• PSA: 93.06000
• Density: 1.353g/cm³
• LogP: 2.54080
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 302.07903816
• Heavy Atom Count: 22
• Complexity: 331

Purity/Quality:

97% ^*data from raw suppliers

4-[2-(4-Carboxyphenoxy)ethoxy]benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)O)OCCOC2=CC=C(C=C2)C(=O)O

Technology Process of Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis-

There total 6 articles about Benzoic acid, 4,4'-[1,2-ethanediylbis(oxy)]bis- 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: 87.0%

1,2-bis(4-formylphenoxy)ethane (34074-28-7) → 1,2-bis(phenoxy)ethane-4,4'-dicarboxylic acid (3753-05-7)

Guidance literature:

With hydrogenchloride; dihydrogen peroxide; sodium hydroxide; In methanol; water; at 35 ℃; for 3h;

DOI:10.1021/ic300665a

Reference yield: 73.0%

1,2-dichloro-ethane (107-06-2,52399-93-6) + 4-hydroxy-benzoic acid (99-96-7) → 1,2-bis(phenoxy)ethane-4,4'-dicarboxylic acid (3753-05-7)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In water;

Reference yield:

ethylene dibromide (106-93-4) + 4-hydroxy-benzoic acid (99-96-7) → 1,2-bis(phenoxy)ethane-4,4'-dicarboxylic acid (3753-05-7)

Guidance literature:

In ethanol; water; at 120 ℃; for 0.333333h; Alkaline conditions; Microwave irradiation;

DOI:10.1016/j.ejmech.2013.03.023

upstream raw materials:

1,2-bis(4-formylphenoxy)ethane

1,1'-[ethane-1,2-diylbis(oxy)]bis(4-methylbenzene)

1,2-dichloro-ethane

4-hydroxy-benzoic acid

Downstream raw materials:

{[Zn(bce)(H₂O)]}n

1,2-bis(4'-carboxy-phenoxy)ethane diacid dichloride