1,1,3-Trimethoxybutane

Base Information

• Chemical Name: 1,1,3-Trimethoxybutane
• CAS No.: 10138-89-3
• Molecular Formula: C7H16 O3
• Molecular Weight: 148.202
• Hs Code.: 2909199090
• European Community (EC) Number: 626-126-1
• NSC Number: 127599,11791
• UNII: 40Z28L1KWF
• DSSTox Substance ID: DTXSID00864225
• Nikkaji Number: J35.121K
• Mol file: 10138-89-3.mol

Synonyms:1,1,3-Trimethoxybutane;10138-89-3;3-Methoxybutyraldehyde dimethyl acetal;BUTANE, 1,1,3-TRIMETHOXY-;Butyraldehyde, 3-methoxy-, dimethyl acetal;NSC 127599;BRN 1698649;AI3-25336;40Z28L1KWF;NSC-127599;4-01-00-03985 (Beilstein Handbook Reference);1,3-Trimethoxybutane;Butane,1,3-trimethoxy-;UNII-40Z28L1KWF;SCHEMBL100759;DTXSID00864225;WLN: 1OYO1&1Y1&O1;NSC11791;NSC-11791;NSC127599;AKOS015913361;AS-79944;LS-46029;FT-0729388;3-METHOXYBUTYRALDEHYDE DIMETHYL ACETAL, 98%;J-000377;BUTYRALDEHYDE, .BETA.-METHOXY-, DIMETHYL ACETAL

Chemical Property of 1,1,3-Trimethoxybutane

Chemical Property:

• Appearance/Colour: BROWN CRYSTALLINE CHUNKS
• Vapor Pressure: 3.63mmHg at 25°C
• Melting Point: 52-54?°C(lit.)
• Refractive Index: n20/D 1.403(lit.)
• Boiling Point: 157°Cat760mmHg
• Flash Point: 47.2°C
• PSA: 27.69000
• Density: 0.904g/cm³
• LogP: 1.03030
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 148.109944368
• Heavy Atom Count: 10
• Complexity: 71.3

Purity/Quality:

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

3-Methoxybutyraldehyde dimethyl acetal 98% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(CC(OC)OC)OC

Technology Process of 1,1,3-Trimethoxybutane

There total 11 articles about 1,1,3-Trimethoxybutane 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: 18.0%

methoxyethene (107-25-5,9003-09-2) + 1,1-dimethoxyethane (534-15-6) → 1,1,3-trimethoxybutane (10138-89-3) + 1.1.3.5-tetramethoxy-hexane (25724-11-2)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at -78 ℃; for 4h;

DOI:10.1021/jo00248a006

Reference yield:

methanol (67-56-1) + crotonaldehyde (123-73-9,4170-30-3) → 1,1,3-trimethoxybutane (10138-89-3)

Guidance literature:

With sulfuric acid; at 25 ℃;

Reference yield:

methoxyethene (107-25-5,9003-09-2) + 1,1-dimethoxyethane (534-15-6) → 1,1,3-trimethoxybutane (10138-89-3)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at -78 ℃; for 4h; Product distribution; other acetals and orthoesters;

DOI:10.1021/jo00248a006

upstream raw materials:

methanol

methoxyethene

1,1-dimethoxyethane

crotonaldehyde

Downstream raw materials:

2-methylquinoline

1-Nonyloxy-buta-1,3-dien

dimethyldifluorosilane

2-(2-Methoxy-propyl)-[1,3]dithiane

Refernces

• 1、 Brueggen, Uwe von der,Lammers, Roswitha,Mayr, Herbert. "Relative Reactivities of Acetals and Orthoesters in Lewis Acid Catalyzed Reactions with Vinyl Ethers. A Systematic Investigation of the Synthetic Potential of Acetals and Orthoesters in Electrophilic Alkoxyalkylations of Enol Ethers". . p. 2920 - 2925. Retrieved 2007/10/02.