Guaiacol carbonate

Base Information

• Chemical Name: Guaiacol carbonate
• CAS No.: 553-17-3
• Molecular Formula: C15H14O5
• Molecular Weight: 274.273
• Hs Code.: 29209090
• European Community (EC) Number: 209-034-2
• NSC Number: 37138,3798
• UNII: Q71XPQ6R29
• DSSTox Substance ID: DTXSID3046405
• Nikkaji Number: J6.455F
• Wikidata: Q27287071
• NCI Thesaurus Code: C76056
• ChEMBL ID: CHEMBL1898058
• Mol file: 553-17-3.mol

Synonyms:GUAIACOL CARBONATE;Bis(2-methoxyphenyl) carbonate;553-17-3;Duotal;Tussophob;guaiacolcarbonate;Bis-o-methoxyphenyl carbonate;Guaiacyl carbonate;Di-o-methoxyphenyl carbonate;Carbonic acid bis(2-methoxyphenyl) ester;Guaiacol carbonic acid neutral ester;Diguaiacyl carbonate;Phenol, 2-methoxy-, carbonate (2:1);Carbonic acid, bis(o-methoxyphenyl) ester;Guaiacol carbonate [NF];NSC 37138;UNII-Q71XPQ6R29;MLS002637719;Q71XPQ6R29;DTXSID3046405;NSC-3798;EINECS 209-034-2;NSC-37138;NCGC00164512-01;NCGC00164512-02;Phenol, carbonate (2:1);DTXCID1026405;Carbonic acid bis[2-methoxyphenyl] ester;CAS-553-17-3;bis(2-methoxyphenyl)carbonate;Guajacolcarbonat;Carbonic acid guiacol ether;SCHEMBL21541;GUAIACOL CARBONATE [MI];CHEMBL1898058;NSC3798;CHEBI:135131;HMS3078E13;CS-B1684;GUAIACOL CARBONATE [WHO-DD];HY-Y1876;NSC37138;Tox21_112147;MFCD00025723;AKOS005068004;Tox21_112147_1;Bis(o-methoxyphenyl)ester carbonic acid;Carbonic acid bis(2-methyoxyphenyl) ester;CS-16937;SMR001547241;Carbonic acid bis-(2-methoxy-phenyl) ester;FT-0626816;C13264;A830588;Q27287071

Chemical Property of Guaiacol carbonate

Chemical Property:

• Vapor Pressure: 2.27E-06mmHg at 25°C
• Melting Point: 88°C
• Refractive Index: 1.552
• Boiling Point: 392.6 °C at 760 mmHg
• Flash Point: 173.7 °C
• PSA: 53.99000
• Density: 1.208 g/cm³
• LogP: 3.28160
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 274.08412354
• Heavy Atom Count: 20
• Complexity: 279

Purity/Quality:

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

Guaiacol Carbonate ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=CC=C1OC(=O)OC2=CC=CC=C2OC
• Uses: Guaiacol Carbonate is used in method for preparing Polycarbonate Polyol and compound comprising the Polycarbonate Polyol.

Technology Process of Guaiacol carbonate

There total 8 articles about Guaiacol carbonate 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: 52.0%

difluorodiiodomethane (1184-76-5) + 2-methoxy-phenol (90-05-1) → bis(2-methoxy-phenyl)carbonate (553-17-3) + 1-(difluoro-iodo-methoxy)-2-methoxy-benzene

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 ℃; for 0.5h;

DOI:10.1016/S0022-1139(99)00228-6

Reference yield:

phosgene (75-44-5) + 2-methoxy-phenol (90-05-1) → bis(2-methoxy-phenyl)carbonate (553-17-3)

Guidance literature:

With alkali;

Reference yield:

→ bis(2-methoxy-phenyl)carbonate (553-17-3)

Guidance literature:

With water; Einleiten von Phosgen;

upstream raw materials:

ethyl 2-methoxyphenyl carbonate

2-methoxyphenyl chlorocarbonate

carbonic acid-(2-methoxy-phenyl ester)-methyl ester

chloroformic acid ethyl ester

Downstream raw materials:

1,3-bis(3,4-dimethylphenyl)urea

carbonic acid bis-(5-nitro-2-methoxy-phenyl ester)

cyclotriveratrylene

carbonic acid bis-(2-methoxy-3,5-dinitro-phenyl ester)

Refernces