1,3-Diethoxybenzene

Base Information

• Chemical Name: 1,3-Diethoxybenzene
• CAS No.: 2049-73-2
• Molecular Formula: C10H14 O2
• Molecular Weight: 166.22
• Hs Code.: 29093090
• European Community (EC) Number: 218-071-3
• NSC Number: 4888
• UNII: AF1RPI3V6S
• DSSTox Substance ID: DTXSID10174463
• Nikkaji Number: J80.374J
• Wikidata: Q83044543
• ChEMBL ID: CHEMBL2252487
• Mol file: 2049-73-2.mol

Synonyms:1,3-Diethoxybenzene;2049-73-2;m-Diethoxybenzene;Benzene, 1,3-diethoxy-;AF1RPI3V6S;NSC 4888;NSC-4888;EINECS 218-071-3;AI3-02079;Resorcinol Diethyl Ether;NSC4888;Resorcindiathylather;2,4-diethoxybenzene;Benzene,3-diethoxy-;1,3-diethoxy-benzene;Benzene,1,3-diethoxy-;UNII-AF1RPI3V6S;SCHEMBL1100167;CHEMBL2252487;DTXSID10174463;MFCD00015145;AKOS016845959;CS-0449714;D0453;FT-0606657;D89658;EN300-7398018;2-Tetralin-1-yl-4,5-dihydro-1H-imidazolehydrochloride

Chemical Property of 1,3-Diethoxybenzene

Chemical Property:

• Appearance/Colour: clear light yellow liquid
• Vapor Pressure: 0.0651mmHg at 25°C
• Melting Point: 10-12 °C
• Refractive Index: 1.508-1.51
• Boiling Point: 238.5 °C at 760 mmHg
• Flash Point: 87.1 °C
• PSA: 18.46000
• Density: 0.975 g/cm³
• LogP: 2.48400
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 102

Purity/Quality:

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

1,3-Diethoxybenzene ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOC1=CC(=CC=C1)OCC

Technology Process of 1,3-Diethoxybenzene

There total 25 articles about 1,3-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: 94.0%

ethyl bromide (74-96-4) + recorcinol (108-46-3) → 2,4-diethoxybenzene (2049-73-2)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 0 - 20 ℃; for 4h; Inert atmosphere; Schlenk technique;

DOI:10.1002/chem.201701060

Reference yield: 92.0%

2,6-diethoxybenzoic acid (82935-36-2) → 2,4-diethoxybenzene (2049-73-2)

Guidance literature:

With [Rh(OH)(cod)]2; 1,3-bis-(diphenylphosphino)propane; water; sodium hydroxide; In toluene; at 120 ℃; for 24h; Inert atmosphere;

DOI:10.1021/ol100001b

Reference yield: 90.0%

2,4-diethoxyphenylboronic acid (1072952-01-2) → 2,4-diethoxybenzene (2049-73-2)

Guidance literature:

With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); water; In toluene; at 90 ℃; for 1h; Microwave irradiation; Green chemistry;

DOI:10.1021/acs.joc.5b01041

upstream raw materials:

3,5-di(ethoxy)benzoic acid

1,3-bis-ethoxycarbonyloxy-benzene

disodium resorcinolate

ethyl iodide

Downstream raw materials:

4-(2,4-diethoxy-phenyl)-4-oxo-butyric acid

2',4'-diethoxy-trans-chalcone

3-ethoxy-4-nitroso-phenol

1,3-Diethoxy-2-ethylsulfanyl-benzene

Refernces

• 1、 Jiang, Dahong,Jia, Xicheng,Zhang, Shuhua,Zhang, Zhihua,Li, Lei,Qiao, Yanhui. "Iodine-catalyzed tandem oxidative aromatization for the synthesis of meta-substituted alkoxybenzenes". supporting information. . Retrieved 2021/06/12.
• 2、 Alexandre, Pierre-Emmanuel,Schwenger, Alexander,Frey, Wolfgang,Richert, Clemens. "High-Loading Crystals of Tetraaryladamantanes and the Uptake and Release of Aromatic Hydrocarbons from the Gas Phase". supporting information. p. 9018 - 9021. Retrieved 2017/07/11.