3-Methoxybutanal

Base Information

• Chemical Name: 3-Methoxybutanal
• CAS No.: 5281-76-5
• Molecular Formula: C5H10 O2
• Molecular Weight: 102.133
• Hs Code.: 2912499000
• NSC Number: 71979
• UNII: 0T9P2X7UPG
• DSSTox Substance ID: DTXSID301031514
• Nikkaji Number: J24.183K
• Mol file: 5281-76-5.mol

Synonyms:3-Methoxybutanal;3-Methoxy butyraldehyde;3-Methoxybutyraldehyde;Butanal, 3-methoxy-;5281-76-5;Aldol ether;beta-Methoxybutyraldehyde;Butyraldehyde, 3-methoxy-;NSC 71979;.beta.-Methoxybutyraldehyde;BRN 1740323;0T9P2X7UPG;AI3-25355;NSC-71979;Aldolather;NSC71979;UNII-0T9P2X7UPG;SCHEMBL441317;WLN: VH1Y1&O1;Butanal, 3-methoxy- (9CI);DTXSID301031514;AKOS006278989;LS-47554;EN300-2972839

Chemical Property of 3-Methoxybutanal

Chemical Property:

• Vapor Pressure: 11mmHg at 25°C
• Refractive Index: 1.5000 (estimate)
• Boiling Point: 127.8°Cat760mmHg
• Flash Point: 26.2°C
• PSA: 26.30000
• Density: 0.887g/cm³
• LogP: 0.61030
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 102.068079557
• Heavy Atom Count: 7
• Complexity: 52

Purity/Quality:

99% ^*data from raw suppliers

3-METHOXY BUTYRALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC=O)OC

Technology Process of 3-Methoxybutanal

There total 8 articles about 3-Methoxybutanal 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: 71.0%

3-methoxy butanol (2517-43-3) → 3-methoxybutanal (5281-76-5)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1039/c2cc17599a

Reference yield:

methanol (67-56-1) + sulfuric acid (7664-93-9) + crotonaldehyde (123-73-9,4170-30-3) → 1,1,3-trimethoxybutane (10138-89-3) + 3-methoxybutanal (5281-76-5)

Guidance literature:

Reference yield:

1,1,3-trimethoxybutane (10138-89-3) → 3-methoxybutanal (5281-76-5)

Guidance literature:

With sulfuric acid;

upstream raw materials:

1,1,3-trimethoxybutane

methanol

crotonaldehyde

sodium methylate

Downstream raw materials:

3-methoxybutanoic acid

3-methoxy butanol

4-methoxypentan-2-ol

3-ethoxy-5-methyl-1,2-diphenyl-pyrazolidine

Refernces

• 1、 Muenster, Niels,Harms, Klaus,Koert, Ulrich. "Differentiation of diastereotopic bromine atoms in SN2 reactions of gem-dibromides". supporting information; experimental part. p. 1866 - 1867. Retrieved 2012/02/16.
• 2、 Meena,Daiya,Sharma,Banerji,Kotai,Sharma, Vinita. "Oxidation of some vicinal and non-vicinal diols by tetrakis(pyridine)silver dichromate: A kinetic and mechanistic study". experimental part. p. 1887 - 1893. Retrieved 2012/04/04.