1,4-Diethoxybutane

Base Information

• Chemical Name: 1,4-Diethoxybutane
• CAS No.: 13344-00-8
• Molecular Formula: C8H18 O2
• Molecular Weight: 146.23
• European Community (EC) Number: 603-743-4
• NSC Number: 30234
• DSSTox Substance ID: DTXSID10928120
• Nikkaji Number: J103.157K
• Wikidata: Q82902853
• Mol file: 13344-00-8.mol

Synonyms:1,4-diethoxybutane

Chemical Property of 1,4-Diethoxybutane

Chemical Property:

• Vapor Pressure: 2.48mmHg at 25°C
• Refractive Index: 1.4072
• Boiling Point: 165.3°Cat760mmHg
• Flash Point: 34.7°C
• Density: 0.843g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 146.130679813
• Heavy Atom Count: 10
• Complexity: 47.2

Purity/Quality:

99% ^*data from raw suppliers

1,4-DIETHOXY BUTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22-36/37/38:
• Hazard Codes: R20/21/22-36/37/38:
• Statements: 20/21/22-36/37/38
• Safety Statements: 23-26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOCCCCOCC

Technology Process of 1,4-Diethoxybutane

There total 11 articles about 1,4-Diethoxybutane 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: 68.0%

succinic acid diethyl ester (123-25-1) → 1,4-diethoxybutane (13344-00-8)

Guidance literature:

With (PPh₃)(CO)4MnC(O)CH₃; phenylsilane; In benzene-d6; for 2h;

Reference yield:

2-methyl-[1,3]dioxepane (4469-25-4) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + ethanol (64-17-5) + 4-ethoxybutan-1-ol (111-73-9) + 1,4-diethoxybutane (13344-00-8) + acetic acid butyl ester (123-86-4) + butan-1-ol (71-36-3)

Guidance literature:

With hydrogen; Pd-Cab-O-Sil; at 300 ℃; Product distribution; Mechanism; var. of catalyst, temp.;

DOI:10.1039/c39810000106

Reference yield:

diethyl ether (60-29-7,927820-24-4) + 2-Bromoethyl ethyl ether (592-55-2) → ethanol (64-17-5) + ethene (74-85-1) + 1,4-diethoxybutane (13344-00-8)

Guidance literature:

upstream raw materials:

tetrahydrofuran

ethanol

1,4-diethoxy-2-butene

Butindiol-diethylether

Downstream raw materials:

tetrahydrofuran

vinylcaprolactam

1,4-dibromo-butane

Refernces

• 1、 -. "Recovery of mercaptoalkanoic acids using alkylene glycol ethers". . . Retrieved 2008/06/13.