1,2-Diethoxybenzene

Base Information

• Chemical Name: 1,2-Diethoxybenzene
• CAS No.: 2050-46-6
• Molecular Formula: C10H14O2
• Molecular Weight: 166.22
• Hs Code.: 29093090
• European Community (EC) Number: 218-089-1
• NSC Number: 6189
• UNII: P9DM5T78PZ
• DSSTox Substance ID: DTXSID6038798
• Nikkaji Number: J80.378B
• Wikidata: Q27286413
• ChEMBL ID: CHEMBL2252466
• Mol file: 2050-46-6.mol

Synonyms:1,2-DIETHOXYBENZENE;2050-46-6;o-Diethoxybenzene;Catechol diethyl ether;Benzene, 1,2-diethoxy-;Benzene, o-diethoxy-;Benzene, diethoxy-;o-Diethoxy benzene;NSC 6189;EINECS 218-089-1;UNII-P9DM5T78PZ;BRN 2046149;P9DM5T78PZ;AI3-24177;DTXSID6038798;NSC-6189;MFCD00015143;EC 218-089-1;4-06-00-05565 (Beilstein Handbook Reference);Pyrocatechol Diethyl Ether;diethoxybenzene;NSC6189;Benzene,2-diethoxy-;SCHEMBL578986;CHEMBL2252466;DTXCID4018798;Tox21_302095;AC7914;AKOS000120622;NCGC00255490-01;DS-17939;LS-29825;SY047589;CAS-2050-46-6;CS-0151454;D0452;FT-0606392;EN300-16152;A814613;J-503817;Q27286413;9H-Xanthene-9-propanoicacid, a-amino-a-[(1S,2S)-2-carboxycyclopropyl]-,(aS)-

Chemical Property of 1,2-Diethoxybenzene

Chemical Property:

• Appearance/Colour: light brown crystalline low melting mass or liquid
• Vapor Pressure: 0.183mmHg at 25°C
• Melting Point: 43-45 °C
• Refractive Index: 1.485
• Boiling Point: 218.7 °C at 760 mmHg
• Flash Point: 73.8 °C
• PSA: 18.46000
• Density: 0.975 g/cm³
• LogP: 2.48400
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: 646mg/L at 20℃
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 100

Purity/Quality:

99% ^*data from raw suppliers

1,2-Diethoxybenzene 98% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=CC=C1OCC

Technology Process of 1,2-Diethoxybenzene

There total 16 articles about 1,2-Diethoxybenzene 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: 88.0%

benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + ethyl iodide (75-03-6) → 1,2-diethoxybenzene (2050-46-6)

Guidance literature:

With potassium carbonate; In acetone; Heating;

DOI:10.1016/j.jcat.2019.04.003

Reference yield: 24.0%

→ 1,2-diethoxybenzene (2050-46-6)

Guidance literature:

Reference yield:

ethanol (64-17-5) + 2-methoxy-phenol (90-05-1) → 3,5-Di-tert-butylcatechol (1020-31-1,122983-47-5,881376-69-8) + 2,6-di-tert-butylphenol (128-39-2) + 2,4-diisopropylphenol (2934-05-6) + 2,6-diisopropylphenol (2078-54-8) + 2,4,6-triisopropylphenol (2934-07-8) + 2,6-di-tert-butyl-4-ethylphenol (4130-42-1) + 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + 2,6-di-tert-butyl-4-methoxymethylene-phenol (87-97-8) + 3,5-Di-tert-butylphenol (1138-52-9) + 2,4-dimethyl-6-tert-butylphenol (1879-09-0) + 2-(2',5'-dimethoxyphenyl)propionaldehyde (52417-48-8) + 2,6-di-tert-butyl-4-sec-butylphenol (17540-75-9) + 1,2-diethoxybenzene (2050-46-6) + 1,4-dimethoxy-2-tert-butylbenzene (21112-37-8) + 1-ethoxy-4-methoxybenzene (5076-72-2) + 2,5-di(tert-amyl)-1,4-hydroquinone (79-74-3) + 2,4-di-tert-amylphenol (120-95-6) + 2,5-diethyl phenol (876-20-0) + 4-ethoxy-3-methoxytoluene (33963-27-8) + 1,2-dimethoxy-4-butylbenzene (59056-76-7) + 1,2-diethoxy-4-ethyl-benzene (131358-04-8) + 3,5-di-t-butyl-4-hydroxybenzaldehyde (1620-98-0)

Guidance literature:

With ortho-tungstic acid; at 300 ℃; for 6h; Autoclave;

DOI:10.1039/c8ra07962e

upstream raw materials:

3,4-diethoxybenzoic acid

diethyl sulfate

benzene-1,2-diol

ethyl iodide

Downstream raw materials:

4-oxo-4-(3,4-diethoxyphenyl)butyric acid

2-Ethoxyphenol

1,2-diethoxy-4-chloromethyl-benzene

bis-(3,4-diethoxy-phenyl)-methane

Refernces

• 1、 Platonova, Yana B.,Volov, Alexander N.,Tomilova, Larisa G.. "Palladium(II) octaalkoxy- and octaphenoxyphthalocyanines: Synthesis and evaluation as catalysts in the Sonogashira reaction". . p. 222 - 227. Retrieved 2019/04/17.
• 2、 -. "A utilizes ethylene directly producing O-ethoxyl phenol method (by machine translation)". Paragraph 0023-0036. . Retrieved 2019/01/16.