1,1-Dibutoxybutane

Base Information

• Chemical Name: 1,1-Dibutoxybutane
• CAS No.: 5921-80-2
• Molecular Formula: C12H26 O2
• Molecular Weight: 202.337
• European Community (EC) Number: 805-774-0
• DSSTox Substance ID: DTXSID60207957
• Nikkaji Number: J24.145H
• Wikidata: Q63395647
• Mol file: 5921-80-2.mol

Synonyms:1,1-DIBUTOXYBUTANE;5921-80-2;Butane, 1,1-dibutoxy-;butyraldehyde dibutyl acetal;Butyraldehyde, dibutyl acetal;Lageracetal;Butane,1,1-dibutoxy-;ButyraldehydeDibutylAcetal;BUTANAL DIBUTYL ACETAL;SCHEMBL351162;DTXSID60207957;n-butyraldehyde di-n-butyl acetal;MFCD00561028;AKOS024390775;B4218;CS-0187334;Q63395647

Chemical Property of 1,1-Dibutoxybutane

Chemical Property:

• Vapor Pressure: 0.213mmHg at 25°C
• Refractive Index: 1.4140-1.4180
• Boiling Point: 215.8°C at 760 mmHg
• Flash Point: 51°C
• PSA: 18.46000
• Density: 0.844g/cm³
• LogP: 3.74600
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 202.193280068
• Heavy Atom Count: 14
• Complexity: 94.5

Purity/Quality:

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

1,1-Dibutoxybutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(CCC)OCCCC

Technology Process of 1,1-Dibutoxybutane

There total 23 articles about 1,1-Dibutoxybutane 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: 91.0%

butyraldehyde (123-72-8) + butan-1-ol (71-36-3) → lageracetal (5921-80-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 20 ℃; for 0.333333h;

Reference yield: 74.0%

butan-1-ol (71-36-3) → lageracetal (5921-80-2)

Guidance literature:

With bis[dichloro(pentamethylcyclopentadienyl)iridium(III)]; C₁₈H₁₇N₂O₂P; In tetrahydrofuran; at 130 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c6ra23946c

Reference yield: 71.0%

meso-galactaric acid (526-99-8,1213827-87-2,7231-46-1) + butan-1-ol (71-36-3) → lageracetal (5921-80-2) + (2E,4E)-hexa-2,4-dienedioic acid dibutyl ester (98330-95-1)

Guidance literature:

With per-rhenic acid; In water; at 170 ℃; for 7.5h; Time; Inert atmosphere;

DOI:10.1002/anie.201307564

upstream raw materials:

dibutyl acetal

butyraldehyde

butan-1-ol

dibutyl ether

Downstream raw materials:

acetic acid butyl ester

butyraldehyde

butan-1-ol

butyl butyrate

Refernces

• 1、 Feng, Tingkai,Li, Conger,Li, Tao,Zhang, Songwei. "One-step solvent-free aerobic oxidation of aliphatic alcohols to esters using a tandem Sc-Ru?MOF catalyst". . p. 1474 - 1480. Retrieved 2022/03/08.
• 2、 -. "SATURATED HOMOETHER MANUFACTURING METHOD FROM UNSATURATED CARBONYL COMPOUND". Paragraph 0045-0046. . Retrieved 2020/05/14.