3-Methylpentanedial

Base Information

• Chemical Name: 3-Methylpentanedial
• CAS No.: 6280-15-5
• Molecular Formula: C6H10 O2
• Molecular Weight: 114.144
• NSC Number: 11063
• UNII: CHG2NY1C09
• DSSTox Substance ID: DTXSID40211895
• Nikkaji Number: J35.145H
• Wikidata: Q83086889
• Mol file: 6280-15-5.mol

Synonyms:3-methylpentanedial;6280-15-5;Pentanedial, 3-methyl-;3-Methyl pentanedial;Glutaraldehyde, 3-methyl-;3-Methylglutaraldehyde;3-Methyl glutaraldehyde;3-Methylglutardialdehyde;3-Methyl-1,5-pentadial;NSC 11063;BRN 1739740;CHG2NY1C09;NSC-11063;4-01-00-03694 (Beilstein Handbook Reference);3-methyl-pentanedial;UNII-CHG2NY1C09;WLN: VH1Y1&1VH;SCHEMBL159060;DTXSID40211895;NSC11063;AKOS006278468;LS-71941;FT-0651579

Chemical Property of 3-Methylpentanedial

Chemical Property:

• Vapor Pressure: 0.38mmHg at 25°C
• Refractive Index: 1.4030 (estimate)
• Boiling Point: 197.3°C at 760 mmHg
• Flash Point: 69.6°C
• PSA: 34.14000
• Density: 0.931g/cm³
• LogP: 0.80050
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 114.068079557
• Heavy Atom Count: 8
• Complexity: 68.6

Purity/Quality:

99.5% ^*data from raw suppliers

3-METHYLPENTANEDIAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC=O)CC=O

Technology Process of 3-Methylpentanedial

There total 8 articles about 3-Methylpentanedial 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: 94.0%

4-methylpiperidin (626-58-4) → 3-methylpentanedial (6280-15-5)

Guidance literature:

With zinc dichromate trihydrate; at 20 ℃; chemoselective reaction; grinding; neat (no solvent);

DOI:10.1055/s-0029-1219174

Reference yield: 90.5%

C8H14O3 → 3-methylpentanedial (6280-15-5)

Guidance literature:

With hydrogenchloride; In water; at 60 ℃; for 3.5h; Inert atmosphere;

Reference yield:

3-methylpentane-1,5-diol (4457-71-0) → 3-methylpentanedial (6280-15-5)

Guidance literature:

3-methylpentane-1,5-diol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -50 ℃; for 0.166667h;

With triethylamine; In dichloromethane; at -78 - 20 ℃; for 0.5h;

upstream raw materials:

3,4-dihydro-2-methoxy-4-methyl-2H-pyran

2-ethoxy-4-methyl-3,4-dihydro-2H-pyran

acetaldehyde

4-methylpiperidin

Downstream raw materials:

picoline

3-methylglutaric anhydride

3-methyl glutaric acid

3-methylpentane-1,5-diol

Refernces

• 1、 -. "N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE". Paragraph 0626-0627. . Retrieved 2015/06/10.
• 2、 Sobhani, Sara,Maleki, Mahdi Faal. "Oxidative deamination of α-aminophosphonates and amines by zinc dichromate trihydrate (ZnCr2O73H2O) under solvent-free conditions at room temperature". experimental part. p. 383 - 386. Retrieved 2010/04/05.