1,1-Dimethoxybutane

Base Information

• Chemical Name: 1,1-Dimethoxybutane
• CAS No.: 4461-87-4
• Molecular Formula: C6H14O2
• Molecular Weight: 118.176
• Hs Code.: 2911000000
• European Community (EC) Number: 686-190-1
• DSSTox Substance ID: DTXSID60196251
• Nikkaji Number: J26.134C
• Wikidata: Q83069309
• Mol file: 4461-87-4.mol

Synonyms:1,1-Dimethoxybutane;4461-87-4;Butane, 1,1-dimethoxy-;Butane, dimethoxy-;Butanal dimethyl acetal;1,1-dimethoxy-butane;SCHEMBL26276;DTXSID60196251;DZKUKLGGGNLHNY-UHFFFAOYSA-N;MFCD22199804;AKOS015851547;BS-18940;EN300-247496

Chemical Property of 1,1-Dimethoxybutane

Chemical Property:

• Vapor Pressure: 26.3mmHg at 25°C
• Refractive Index: 1.389
• Boiling Point: 111.9 °C at 760 mmHg
• Flash Point: 10.1 °C
• PSA: 18.46000
• Density: 0.84 g/cm³
• LogP: 1.40540
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 118.099379685
• Heavy Atom Count: 8
• Complexity: 41.8

Purity/Quality:

99% ^*data from raw suppliers

1,1-Dimethoxybutane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(OC)OC
• Uses: 1,1-Dimethoxybutane is used in preparation of imine type quaternary ammonium salt catalyst for low-viscosity polyisocyanate synthesis.

Technology Process of 1,1-Dimethoxybutane

There total 6 articles about 1,1-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: 26.0%

methanol (67-56-1) + dibutyl ether (142-96-1) → 1,1-dimethoxybutane (4461-87-4) + butanoic acid methyl ester (623-42-7) + 1-n-butoxy-1-methoxybutane (113443-65-5)

Guidance literature:

With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate; at 40 ℃; electrochem. oxidation;

DOI:10.1016/S0040-4020(01)87786-3

Reference yield: 15.0%

Dimethoxymethane (109-87-5) + 4-propyl-3,5-dithiaheptane (3393-16-6) → methanol (67-56-1) + bis(ethylthio)methane (4396-19-4) + 1,1-dimethoxybutane (4461-87-4) + E/Z-1-butenyl ethyl sulfide (78949-24-3) + methoxy(ethylthio)methane (77454-95-6)

Guidance literature:

With KU-2 ion exchange resin; In toluene; at 40 ℃; for 10h;

Reference yield: 11.0%

methanol (67-56-1) + Cyclohexyl-n-butyl ether (24072-44-4) → cycloxexanone dimethyl ketal (933-40-4) + 1,1-dimethoxybutane (4461-87-4) + butanoic acid methyl ester (623-42-7)

Guidance literature:

With tris (2,4-dibromophenyl)amine; sodium methylate; lithium perchlorate; at 40 ℃; electrochem. oxidation;

DOI:10.1016/S0040-4020(01)87786-3

upstream raw materials:

methanol

1,1-diethoxybutane

trans-4-Octene

dibutyl ether

Downstream raw materials:

butanoic acid methyl ester

1,1,3-Trimethoxy-hexane

1,1,3,5-Tetramethoxy-octane

2-Buthylidenecyclohexanone