5-(Benzyloxy)isophthalic acid

Base Information

• Chemical Name: 5-(Benzyloxy)isophthalic acid
• CAS No.: 114274-39-4
• Molecular Formula: C15H12O5
• Molecular Weight: 272.257
• Hs Code.: 2918990090
• DSSTox Substance ID: DTXSID10555576
• Nikkaji Number: J2.122.613K
• Wikidata: Q82436966
• Mol file: 114274-39-4.mol

Synonyms:5-(Benzyloxy)isophthalic acid;114274-39-4;5-Benzyloxy-isophthalic acid;5-phenylmethoxybenzene-1,3-dicarboxylic acid;1,3-Benzenedicarboxylic acid, 5-(phenylmethoxy)-;METHYLHOMOVERATRATE;5-(benzyloxy)benzene-1,3-dicarboxylic acid;YSZC647;SCHEMBL862870;DTXSID10555576;AKOS015960822;AB16595;AC-12327;CS-0170010;G71658;J-003073

Chemical Property of 5-(Benzyloxy)isophthalic acid

Chemical Property:

• Vapor Pressure: 7.14E-12mmHg at 25°C
• Refractive Index: 1.634
• Boiling Point: 525.5 °C at 760 mmHg
• Flash Point: 202 °C
• PSA: 83.83000
• Density: 1.366 g/cm³
• LogP: 2.66200
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 272.06847348
• Heavy Atom Count: 20
• Complexity: 326

Purity/Quality:

98%min ^*data from raw suppliers

5-(Benzyloxy)isophthalicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(=O)O)C(=O)O

Technology Process of 5-(Benzyloxy)isophthalic acid

There total 4 articles about 5-(Benzyloxy)isophthalic 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: 95.0%

dimethyl 5-(benzyloxy)isophthalate (53478-04-9) → 5-(benzyloxy)benzene-1,3-dicarboxylic acid (114274-39-4)

Guidance literature:

With sodium hydroxide; In methanol; water; for 12h; Reflux;

DOI:10.1002/chem.201302455

Reference yield:

Dimethyl 5-hydroxyisophthalate (13036-02-7) → 5-(benzyloxy)benzene-1,3-dicarboxylic acid (114274-39-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / acetone / 2 h / Reflux

2: sodium hydroxide / tetrahydrofuran; water / 8 h / 60 °C

With potassium carbonate; sodium hydroxide; In tetrahydrofuran; water; acetone; 1: Williamson synthesis;

DOI:10.1021/ma101814m

Reference yield:

5-Hydroxyisophthalic acid (618-83-7) → 5-(benzyloxy)benzene-1,3-dicarboxylic acid (114274-39-4)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid / 5 h / Reflux

2: potassium carbonate / acetone / 2 h / Reflux

3: sodium hydroxide / tetrahydrofuran; water / 8 h / 60 °C

With sulfuric acid; potassium carbonate; sodium hydroxide; In tetrahydrofuran; water; acetone; 2: Williamson synthesis;

DOI:10.1021/ma101814m

upstream raw materials:

dimethyl 5-(benzyloxy)isophthalate

Dimethyl 5-hydroxyisophthalate

5-Hydroxyisophthalic acid

benzyl bromide

Downstream raw materials:

[Zn(5-(benzyloxy)isophthalate^(2-))(1,2-bis(4-pyridyl)ethane)]

C₉₇H₈₄N₄O₁₅

bis[3-(9H-carbazol-9-yl)propyl]-5-(benzyloxy)isophthalate

C₁₅H₁₀O₅^(2-)*Zn⁽²⁺⁾*C₁₆H₁₂N₂

Refernces

• 1、 Gole, Bappaditya,Bar, Arun Kumar,Mukherjee, Partha Sarathi. "Modification of extended open frameworks with fluorescent tags for sensing explosives: Competition between size selectivity and electron deficiency". supporting information. p. 2276 - 2291. Retrieved 2014/03/21.
• 2、 Jin, Hao,Xu, Yiding,Shen, Zhihao,Zou, Dechun,Wang, Dan,Zhang, Wei,Fan, Xinghe,Zhou, Qifeng. "Jacketed polymers with dendritic carbazole side groups and their applications in blue light-emitting diodes". experimental part. p. 8468 - 8478. Retrieved 2011/11/12.