1,4-Phenylenediacetic acid

Base Information

• Chemical Name: 1,4-Phenylenediacetic acid
• CAS No.: 7325-46-4
• Molecular Formula: C10H10O4
• Molecular Weight: 194.187
• Hs Code.: 29173990
• European Community (EC) Number: 230-801-2
• DSSTox Substance ID: DTXSID70223481
• Nikkaji Number: J1.848A
• Wikidata: Q60816249
• Mol file: 7325-46-4.mol

Synonyms:p-Phenylenediacetic acid;p-Benzenediaceticacid (6CI,7CI,8CI);1,4-Benzenediaceticacid;

Chemical Property of 1,4-Phenylenediacetic acid

Chemical Property:

• Appearance/Colour: light yellow to beige powder
• Vapor Pressure: 1.75E-07mmHg at 25°C
• Melting Point: 248-252 °C(lit.)
• Refractive Index: 1.5430 (estimate)
• Boiling Point: 410.7 °C at 760 mmHg
• PKA: 4.03±0.10(Predicted)
• Flash Point: 216.4 °C
• PSA: 74.60000
• Density: 1.345 g/cm³
• LogP: 0.94080
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 194.05790880
• Heavy Atom Count: 14
• Complexity: 192

Purity/Quality:

99% ^*data from raw suppliers

1,4-Phenylenediacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• 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(=CC=C1CC(=O)O)CC(=O)O
• Uses: 1,4-Phenylenediacetic Acid is an arenediacetic acid used in the preparation of flurorescent whitening agents. 1,4-Phenylenediacetic Acid has fluorescent properties that allow for use in fluorescent pr obes. 1,4-Phenylenediacetic Acid is an arenediacetic acid used in the preparation of flurorescent whitening agents. 1,4-Phenylenediacetic Acid has fluorescent properties that allow for use in fluorescent probes.

Technology Process of 1,4-Phenylenediacetic acid

There total 20 articles about 1,4-Phenylenediacetic 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: 90.0%

carbon monoxide (201230-82-2) + p-Xylylene dichloride (623-25-6) → 1,4-phenylenediacetic acid (7325-46-4)

Guidance literature:

carbon monoxide; With C₂₈H₁₆N₂O₆Se; In butan-1-ol; for 2h; under 750.075 Torr; Reflux;

p-Xylylene dichloride; With tetrabutylammomium bromide; sodium hydroxide; In butan-1-ol; at 50 ℃; for 24h; under 750.075 Torr;

Reference yield: 90.0%

1,4-phenylenediacetonitrile (622-75-3) → 1,4-phenylenediacetic acid (7325-46-4)

Guidance literature:

With hydrogenchloride; acetic acid; at 100 ℃; for 2h;

DOI:10.1007/s00706-003-0029-x

Reference yield: 89.0%

1,4-bis(bromomethyl)benzene (623-24-5) + carbon monoxide (201230-82-2) → 1,4-phenylenediacetic acid (7325-46-4)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; potassium iodide; In formic acid; at 90 ℃; for 18h; under 760 Torr;

DOI:10.1016/S0040-4039(00)01327-7

upstream raw materials:

octane

para-xylene

n-pentylsodium

4-acetyl-phenylacetic acid

Downstream raw materials:

trans,s-trans-1,4-bis(4-phenyl-1,3-butadienyl)benzene

p-phenylenedi-acetic acid dibutyl ester

[4-(1,4-Dicyano-1,2-dihydro-naphthalen-1-ylmethyl)-phenyl]-acetic acid

C₁₆H₁₀O₆

Refernces

• 1、 Li, Chenchen,Li, Ruoling,Zhang, Bing,Zhao, Pei,Zhao, Wanxiang. "Oxidation of Alkynyl Boronates to Carboxylic Acids, Esters, and Amides". . p. 10913 - 10917. Retrieved 2020/05/25.
• 2、 -. "Preparation method of acid with different substituent groups". Paragraph 0053-0057. . Retrieved 2019/10/23.