Dimethyl 2,3-dihydroxyterephthalate

Base Information

• Chemical Name: Dimethyl 2,3-dihydroxyterephthalate
• CAS No.: 75956-62-6
• Molecular Formula: C10H10 O6
• Molecular Weight: 226.186
• NSC Number: 20216
• DSSTox Substance ID: DTXSID30997313
• Nikkaji Number: J1.016.133I
• Wikidata: Q72469778
• Mol file: 75956-62-6.mol

Synonyms:dimethyl 2,3-dihydroxyterephthalate;75956-62-6;dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;1,4-dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;NSC20216;SCHEMBL3173889;STWMCBFQCITJQM-UHFFFAOYSA-;DTXSID30997313;NSC-20216;F20868;EN300-11724960;InChI=1/C10H10O6/c1-15-9(13)5-3-4-6(10(14)16-2)8(12)7(5)11/h3-4,11-12H,1-2H3

Chemical Property of Dimethyl 2,3-dihydroxyterephthalate

Chemical Property:

• Vapor Pressure: 1.03E-05mmHg at 25°C
• Boiling Point: 361°Cat760mmHg
• Flash Point: 141.8°C
• Density: 1.395g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 226.04773803
• Heavy Atom Count: 16
• Complexity: 249

Purity/Quality:

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=C(C(=C(C=C1)C(=O)OC)O)O

Technology Process of Dimethyl 2,3-dihydroxyterephthalate

There total 9 articles about Dimethyl 2,3-dihydroxyterephthalate 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: 86.0%

methanol (67-56-1) + 2,3-dihydroxyterephthalic acid (19829-72-2) → dimethyl 2,3-dihydroxyterephthalate (75956-62-6)

Guidance literature:

With chloro-trimethyl-silane; for 16h; Heating;

DOI:10.1080/00304949909355678

Reference yield: 82.0%

methanol (67-56-1) + disodium 2,3-dihydroxyterephthalate (75956-61-5) → dimethyl 2,3-dihydroxyterephthalate (75956-62-6)

Guidance literature:

With hydrogenchloride; for 60h; Heating;

DOI:10.1021/jm00134a015

Reference yield: 55.0%

methanol (67-56-1) + carbon dioxide (124-38-9,18923-20-1) + bis-methoxymethylenoxy-1,2 benzene (3688-89-9) → dimethyl 2,3-dihydroxyterephthalate (75956-62-6) + 2,3-dihydroxy methyl benzoate 4-carboxylic acid (364364-87-4)

Guidance literature:

bis-methoxymethylenoxy-1,2 benzene; With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; In diethyl ether; at 0 - 20 ℃; for 0.5h;

carbon dioxide; In diethyl ether; for 1h;

methanol; With chloro-trimethyl-silane; Heating / reflux;

upstream raw materials:

methanol

disodium 2,3-dihydroxyterephthalate

2,3-dihydroxyterephthalic acid

1,4-benzenedicarboxylic acid dimethyl ester

Downstream raw materials:

2.3-Bis--terephthalsaeure-dimethylester

dimethyl 2,3-bis(benzyloxy)terephthalate

dimethyl 2,3-dimethoxyterephthalate

dimethyl 2,3-bis[(dimethylcarbamothioyl)oxy]benzene-1,4-dicarboxylate