Cyclohepta-2,4,6-triene-1-carbonyl Chloride

Base Information

Chemical Name:Cyclohepta-2,4,6-triene-1-carbonyl Chloride
CAS No.:32399-48-7
Molecular Formula:C8H7 Cl O
Molecular Weight:154.596
Hs Code.:2916209090
DSSTox Substance ID:DTXSID90460790
Nikkaji Number:J1.621.419A
Mol file:32399-48-7.mol

Synonyms:Cyclohepta-2,4,6-triene-1-carbonyl Chloride;32399-48-7;DTXSID90460790;2,4,6-cycloheptatrienecarbonyl chloride

Suppliers and Price of Cyclohepta-2,4,6-triene-1-carbonyl Chloride

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 Cyclohepta-2,4,6-triene-1-carbonyl Chloride

Chemical Property:

PSA：17.07000
LogP:2.05020
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:154.0185425
Heavy Atom Count:10
Complexity:197

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=CC(C=C1)C(=O)Cl

Technology Process of Cyclohepta-2,4,6-triene-1-carbonyl Chloride

There total 4 articles about Cyclohepta-2,4,6-triene-1-carbonyl Chloride 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:

: 27332-37-2
ethyl cyclohepta-2,4,6-trienecarboxylate

: 32399-48-7
cycloheptatriene-7-carbonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 64 percent / NaHCO₃ / methanol; H₂O / 2 h / Heating

2: thionyl chloride

With thionyl chloride; sodium hydrogencarbonate; In methanol; water;
DOI:10.1002/1099-0690(200109)2001:18<3415::AID-EJOC3415>3.0.CO;2-W

Reference yield:

: 13612-59-4
cyclohepta-2,4,6-triene-1-carbonitrile

: 32399-48-7
cycloheptatriene-7-carbonyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1: 46.3 percent / conc. H₂SO₄ / 35 h / Heating

2: 74 percent / HaHCO₃, H₂O / methanol / 2 h / Heating

3: SOCl₂ / 42 h / Ambient temperature

With thionyl chloride; sulfuric acid; water; sodium hydrogencarbonate; In methanol;
DOI:10.1021/jo981846c