Pentanal, 5,5-dimethoxy-

Base Information

• Chemical Name: Pentanal, 5,5-dimethoxy-
• CAS No.: 50789-30-5
• Molecular Formula: C7H14 O3
• Molecular Weight: 146.186
• Hs Code.: 2912499000
• European Community (EC) Number: 256-763-7
• DSSTox Substance ID: DTXSID4068581
• Nikkaji Number: J351.073E
• Wikidata: Q81995341
• Mol file: 50789-30-5.mol

Synonyms:5,5-dimethoxypentanal;50789-30-5;Pentanal, 5,5-dimethoxy-;5,5-Dimethoxyvaleraldehyde;EINECS 256-763-7;5,5-Dimethoxy-1-pentanal;5,5-dimethoxypen-tanal;SCHEMBL198865;DTXSID4068581;AKOS006228520;EN300-96124

Chemical Property of Pentanal, 5,5-dimethoxy-

Chemical Property:

• Vapor Pressure: 0.676mmHg at 25°C
• Boiling Point: 186°C at 760 mmHg
• Flash Point: 56.4°C
• PSA: 35.53000
• Density: 0.946g/cm³
• LogP: 0.97450
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 146.094294304
• Heavy Atom Count: 10
• Complexity: 78.9

Purity/Quality:

99% ^*data from raw suppliers

5,5-DIMETHOXYPENTANAL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CCCC=O)OC

Technology Process of Pentanal, 5,5-dimethoxy-

There total 15 articles about Pentanal, 5,5-dimethoxy- 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: 79.0%

methanol (67-56-1) + cyclopentene (142-29-0) → 5,5-dimethoxypentanal (50789-30-5)

Guidance literature:

With sodium hydrogencarbonate; toluene-4-sulfonic acid; ozone; dimethylsulfide; for 1.5h;

DOI:10.1021/ol035542a

Reference yield: 42.0%

methanol (67-56-1) + dimethylsulfide (75-18-3) + cyclopentene (142-29-0) → 5,5-dimethoxypentanal (50789-30-5)

Guidance literature:

methanol; cyclopentene; With oxygen; ozone; In dichloromethane; at -78 ℃; Inert atmosphere;

With toluene-4-sulfonic acid; In dichloromethane; water; at 20 ℃; for 1.5h; Inert atmosphere;

dimethylsulfide; With sodium hydrogencarbonate; In dichloromethane; for 16h; Inert atmosphere;

DOI:10.1055/s-0035-1561937

Reference yield: 20.0%

dimethylsulfide (75-18-3) + cyclopentene (142-29-0) → 5,5-dimethoxypentanal (50789-30-5)

Guidance literature:

cyclopentene; With oxygen; toluene-4-sulfonic acid; ozone; In methanol; dichloromethane; at 20 ℃; for 1.5h;

dimethylsulfide; With sodium hydrogencarbonate; In methanol; dichloromethane; at 20 ℃; for 16h;

DOI:10.1055/s-0035-1560769

upstream raw materials:

methanol

Cyclohepta-1,3-diene

5,5-dimethoxy-pentan-1-ol

6,6-dimethoxyhex-1-ene

Downstream raw materials:

3-benzyloxy-7,7-dimethoxy-1-heptyne

3-benzyloxy-1-iodo-7,7-dimethoxy-1-heptyne

(Z)-3-benzyloxy-1-iodo-7,7-dimethoxy-1-heptene

(E)-3-benzyloxy-1-iodo-7,7-dimethoxy-1-heptene

Refernces

• 1、 Rota, Filippo,Benhamou, Laure,Sheppard, Tom D.. "Asymmetric Synthesis of Secondary Alcohols and 1,2-Disubstituted Epoxides via Organocatalytic Sulfenylation". supporting information. p. 33 - 36. Retrieved 2015/12/26.
• 2、 Tran, Vincent,Minehan, Thomas G.. "Lewis acid catalyzed intramolecular condensation of ynol ether-acetals. synthesis of alkoxycycloalkene carboxylates". supporting information. p. 6100 - 6103. Retrieved 2013/02/26.