1,3-Dimethoxybutane

Base Information

• Chemical Name: 1,3-Dimethoxybutane
• CAS No.: 10143-66-5
• Molecular Formula: C6H14 O2
• Molecular Weight: 118.176
• Hs Code.: 2909199090
• UNII: AGA55220GU
• DSSTox Substance ID: DTXSID50906189
• Nikkaji Number: J35.123G
• Wikidata: Q22138893
• Mol file: 10143-66-5.mol

Synonyms:1,3-Dimethoxybutane;10143-66-5;1,3-dimethoxy butane;Butane, 1,3-dimethoxy-;BRN 1732425;BUTANE,1,3-DIMETHOXY-;UNII-AGA55220GU;AGA55220GU;4-01-00-02509 (Beilstein Handbook Reference);1,3-Dimethoxylbutane;Dimethoxybutane, 1,3-;SCHEMBL384261;DTXSID50906189;AKOS006279041;J35.123G;LS-45700;Q22138893

Chemical Property of 1,3-Dimethoxybutane

Chemical Property:

• Vapor Pressure: 21.3mmHg at 25°C
• Refractive Index: 1.3810 (estimate)
• Boiling Point: 116.8°Cat760mmHg
• Flash Point: 13.8°C
• PSA: 18.46000
• Density: 0.84g/cm³
• LogP: 1.05780
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 45.8

Purity/Quality:

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

1,3-DIMETHOXYBUTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCOC)OC

Technology Process of 1,3-Dimethoxybutane

There total 7 articles about 1,3-Dimethoxybutane 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: 95.0%

1.3-butanediol (18826-95-4,107-88-0) + carbonic acid dimethyl ester (616-38-6) → 1,3-dimethoxybutane (10143-66-5)

Guidance literature:

With tungsten hexacarbonyl; at 180 ℃; for 1h;

DOI:10.1134/S1070428014070057

Reference yield:

methanol (67-56-1) + N-(4-Methoxybutyl)-N-nitrosoharnstoff (98385-95-6) → 1,4-dimethoxybutane (13179-96-9) + methoxy-1 butene-3 (4696-30-4) + 1,3-dimethoxybutane (10143-66-5) + (4-Methoxybutyl)-methyl-carbonat

Guidance literature:

With sodium hydrogencarbonate; for 4h; Further byproducts given; Ambient temperature;

Reference yield:

methanol (67-56-1) + N-(4-Methoxybutyl)-N-nitrosoharnstoff (98385-95-6) → tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 1,4-dimethoxybutane (13179-96-9) + trans-1-methoxy-2-butene (10034-14-7) + methoxy-1 butene-3 (4696-30-4) + 1,3-dimethoxybutane (10143-66-5) + (Z)-1-Methoxy-2-buten (10034-16-9)

Guidance literature:

With sodium hydrogencarbonate; for 4h; Product distribution; Mechanism; Ambient temperature; further reagent: K2CO3, further <1,1-D2>labelled;

upstream raw materials:

propene

Dimethoxymethane

methanol

N-(4-Methoxybutyl)-N-nitrosoharnstoff

Refernces

• 1、 Kirmse, Wolfgang,Jansen, Ulrich. "Deamination Reactions, 41. Reactions of Aliphatic Diazonium Ions and Carbocations with Ethers". . p. 2607 - 2625. Retrieved 2007/10/02.