3-[(2-Hydroxyethoxy)carbonyl]benzoate

Base Information

Chemical Name:3-[(2-Hydroxyethoxy)carbonyl]benzoate
CAS No.:4890-15-7
Molecular Formula:C₁₀H₁₀O₅
Molecular Weight:210.186
Hs Code.:
DSSTox Substance ID:DTXSID80598415
Wikidata:Q82494171
Mol file:4890-15-7.mol

Synonyms:3-[(2-Hydroxyethoxy)carbonyl]benzoate;4890-15-7;3-(2-hydroxyethoxycarbonyl)benzoate;1,3-Benzenedicarboxylic acid, mono(2-hydroxyethyl) ester;DTXSID80598415

Suppliers and Price of 3-[(2-Hydroxyethoxy)carbonyl]benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 3-[(2-Hydroxyethoxy)carbonyl]benzoate

Chemical Property:

PSA：86.66000
LogP:-0.80080
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:209.04499838
Heavy Atom Count:15
Complexity:233

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(=O)OCCO)C(=O)[O-]

Technology Process of 3-[(2-Hydroxyethoxy)carbonyl]benzoate

There total 2 articles about 3-[(2-Hydroxyethoxy)carbonyl]benzoate 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:

: 121-91-5
isophthalic acid

: 107-21-1
ethylene glycol

: 4890-15-7
2-Hydroxyethylhydrogenisophthalat

Guidance literature:: With dmap; dicyclohexyl-carbodiimide; In acetonitrile; at 0 - 20 ℃; for 6h;
DOI:10.1080/14756366.2019.1690481

Reference yield:

: 4890-15-7
2-Hydroxyethylhydrogenisophthalat

Guidance literature:: Isophthalsaeure, Ethylenoxid;

Reference yield:

: 4890-15-7
2-Hydroxyethylhydrogenisophthalat

: C₂₇H₃₀O₇

Guidance literature:: Multi-step reaction with 3 steps

1: pyridine / 8 h

2: potassium carbonate / N,N-dimethyl-formamide / 5 h / 80 °C

3: palladium 10% on activated carbon; hydrogen / methanol / 12 h / 20 °C / 7500.75 Torr

With pyridine; palladium 10% on activated carbon; hydrogen; potassium carbonate; In methanol; N,N-dimethyl-formamide;
DOI:10.1080/14756366.2019.1690481