2-Methoxybutanedial

Base Information

• Chemical Name: 2-Methoxybutanedial
• CAS No.: 5281-75-4
• Molecular Formula: C5H8O3
• DSSTox Substance ID: DTXSID40599029
• Nikkaji Number: J1.499.994I
• Mol file: 5281-75-4.mol

Synonyms:2-Methoxybutanedial;5281-75-4;SCHEMBL6663492;DTXSID40599029

Chemical Property of 2-Methoxybutanedial

Chemical Property:

• XLogP3: -0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 116.047344113
• Heavy Atom Count: 8
• Complexity: 79.7

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CC=O)C=O

Technology Process of 2-Methoxybutanedial

There total 1 articles about 2-Methoxybutanedial 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:

2,5-dihydro-2,5-dimethoxyfuran (332-77-4) → 2-Methoxysuccindialdehyde (5281-75-4) + 2-hydroxy-succinaldehyde (7724-28-9)

Guidance literature:

With hydrogenchloride; In water; at 20 ℃; for 1h;

DOI:10.1039/c2ob06984a

Reference yield: 60.0%

acetonedicarboxylic acid (542-05-2) + 2-Methoxysuccindialdehyde (5281-75-4) + methylamine hydrochloride (593-51-1) → (+/-)-6β-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one (4839-12-7,93047-53-1,112843-64-8)

Guidance literature:

With citrate buffer; at 20 ℃; pH=4;

DOI:10.1016/S0960-894X(01)00068-3

Reference yield:

2-Methoxysuccindialdehyde (5281-75-4) → (1S,3S,5R,6S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-6-methoxy-8-methyl-8-aza-bicyclo[3.2.1]octane

Guidance literature:

Multi-step reaction with 3 steps

1: 60 percent / citrate buffer / 20 °C / pH 4

2: 70 percent / H₂; AcOH / PtO₂

3: 160 °C

With citrate buffer; hydrogen; acetic acid; platinum(IV) oxide;

DOI:10.1016/S0960-894X(01)00068-3

upstream raw materials:

2,5-dihydro-2,5-dimethoxyfuran

Downstream raw materials:

(+/-)-6β-methoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one

6-methoxytropine