3,5,7-Cycloheptatriene-1,3-dicarboxaldehyde

Base Information

Chemical Name:3,5,7-Cycloheptatriene-1,3-dicarboxaldehyde
CAS No.:28172-94-3
Molecular Formula:C₉H₈O₂
Molecular Weight:148.161
Hs Code.:
DSSTox Substance ID:DTXSID50455682
Nikkaji Number:J88.549E
Mol file:28172-94-3.mol

Synonyms:28172-94-3;3,5,7-Cycloheptatriene-1,3-dicarboxaldehyde;SCHEMBL11489077;DTXSID50455682;1,3,5-Cycloheptatriene-1,6-dicarbaldehyde

Suppliers and Price of 3,5,7-Cycloheptatriene-1,3-dicarboxaldehyde

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 3,5,7-Cycloheptatriene-1,3-dicarboxaldehyde

Chemical Property:

PSA：34.14000
LogP:1.19690
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:148.052429494
Heavy Atom Count:11
Complexity:231

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(=CC=CC=C1C=O)C=O

Technology Process of 3,5,7-Cycloheptatriene-1,3-dicarboxaldehyde

There total 9 articles about 3,5,7-Cycloheptatriene-1,3-dicarboxaldehyde 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: 69.0%

: N¹,N³-dimethoxy-N¹,N³-dimethylcyclohepta-3,5,7-triene-1,3-dicarboxamide

: 28172-94-3
cyclohepta-1,3,5-triene-1,6-dicarbaldehyde

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 0.333333h; Inert atmosphere;
DOI:10.3390/molecules25092164

Reference yield: 61.0%

: 73875-02-2
Cyclohepta-3,5,7-triene-1,3-dicarbonyl dichloride

: 28172-94-3
cyclohepta-1,3,5-triene-1,6-dicarbaldehyde

Guidance literature:: With lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran; at -70 ℃;

Reference yield:

: 73875-01-1
cyclohepta-3,5,7-triene-1,3-dicarboxylic acid

: 28172-94-3
cyclohepta-1,3,5-triene-1,6-dicarbaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂, pyridine / 55 °C

2: 61 percent / Lithium-tri-tert-butoxyhydridoaluminat / tetrahydrofuran / -70 °C

With pyridine; thionyl chloride; lithium tri-t-butoxyaluminum hydride; In tetrahydrofuran;