1,1-Dibutoxyethane

Base Information

• Chemical Name: 1,1-Dibutoxyethane
• CAS No.: 871-22-7
• Molecular Formula: C10H22 O2
• Molecular Weight: 174.283
• Hs Code.: 2909199090
• European Community (EC) Number: 212-804-0
• NSC Number: 5314
• UNII: D39LMG3LCC
• DSSTox Substance ID: DTXSID00236125
• Nikkaji Number: J33.408A
• Wikidata: Q63399604
• Mol file: 871-22-7.mol

Synonyms:1-(1-Butoxyethoxy)butane;1,1-Dibutoxyethane;871-22-7;Dibutyl acetal;Acetaldehyde, dibutyl acetal;Di-n-butyl acetal;1,1-Di-n-butoxyethane;Ethane, 1,1-dibutoxy-;Acetaldehyde dibutyl acetal;Butane, 1,1'-[ethylidenebis(oxy)]bis-;Butane, 1,1'-(ethylidenebis(oxy))bis-;AI3-22404;NSC 5314;EINECS 212-804-0;1,1'-(Ethylidenebis(oxy))bisbutane;BRN 1698922;NSC-5314;1,1'-(Ethylidenebis(oxy))dibutane;6-Methyl-5,7-dioxaundecane;1,1'-[ETHYLIDENEBIS(OXY)]DIBUTANE;Ethane,1-dibutoxy-;1,1-dibutoxy-ethane;D39LMG3LCC;WLN: 4OYO4;1-(1-butoxy-ethoxy)-butane;1-(1-Butoxyethoxy)butane #;SCHEMBL115527;DTXSID00236125;NSC5314;Butane,1'-[ethylidenebis(oxy)]bis-;MFCD00129691;AKOS006274653;LS-7902;1,1'-[Ethylidenebis(oxy)]bis[butane];BS-53318;E78084;EN300-7816339;Q63399604

Chemical Property of 1,1-Dibutoxyethane

Chemical Property:

• Refractive Index: 1.4095 (estimate)
• Boiling Point: 245.28°C (rough estimate)
• Flash Point: 46.2oC
• PSA: 18.46000
• Density: 0.9048 (rough estimate)
• LogP: 2.96580
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 174.161979940
• Heavy Atom Count: 12
• Complexity: 73.9

Purity/Quality:

99%, ^*data from raw suppliers

1,1''-[Ethylidenebis(oxy)]bis[butane] ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(C)OCCCC
• Uses: 1,1''-[Ethylidenebis(oxy)]bis[butane] is useful reagent for organic synthesis.

Technology Process of 1,1-Dibutoxyethane

There total 65 articles about 1,1-Dibutoxyethane 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: 93.0%

trimethylsilylacetylene (1066-54-2) + butan-1-ol (71-36-3) → dibutyl acetal (871-22-7)

Guidance literature:

With C₃₁H₄₉AuNP⁽¹⁺⁾*F₆Sb^(1-); In dichloromethane; at 50 ℃; for 5h; under 2250.23 Torr; Inert atmosphere;

DOI:10.1002/chem.202000420

Reference yield: 90.0%

-butyl vinyl ether (111-34-2,92680-80-3) + butan-1-ol (71-36-3) → dibutyl acetal (871-22-7)

Guidance literature:

With lithium trifluoromethanesulfonate; In 1,2-dimethoxyethane; at 90 ℃; for 4h;

DOI:10.1023/A:1012384313049

Reference yield: 76.11%

-butyl vinyl ether (111-34-2,92680-80-3) + benzamide (55-21-0,27208-38-4) → dibutyl acetal (871-22-7) + Ethylen-bis-benzamid (40899-10-3)

Guidance literature:

With hydrogenchloride; In acetone; at 54 ℃; for 5h;

upstream raw materials:

2-pyrrolidinon

n-butyl 1-chloroethyl ether

benzene

-butyl vinyl ether

Downstream raw materials:

1,1,3-tributoxybutane

cyclohexyl butyl acetal

1,1-dibutoxy-3,5,7-tris-cyclohexyloxy-octane

3-cyclohexyloxy-butyraldehyde dibutylacetal

Refernces

• 1、 Grirrane, Abdessamad,álvarez, Eleuterio,García, Hermenegildo,Corma, Avelino. "Synthesis, Structure, Reactivity and Catalytic Implications of a Cationic, Acetylide-Bridged Trigold–JohnPhos Species". . p. 8810 - 8818. Retrieved 2020/07/04.
• 2、 Lobanova,Stankevich,Kukharev. "Synthesis of Acetals Containing a Primary Amino Group". . p. 1289 - 1296. Retrieved 2013/02/21.