1,3-Cyclohexadiene-1-carbonylchloride, 4,6,6-trimethyl-

Base Information

Chemical Name:1,3-Cyclohexadiene-1-carbonylchloride, 4,6,6-trimethyl-
CAS No.:179104-42-8
Molecular Formula:C10H13 Cl O
Molecular Weight:184.66262
Hs Code.:
DSSTox Substance ID:DTXSID50445669
Mol file:179104-42-8.mol

Synonyms:179104-42-8;1,3-Cyclohexadiene-1-carbonylchloride, 4,6,6-trimethyl-;4,6,6-trimethylcyclohexa-1,3-diene-1-carbonyl Chloride;1,3-Cyclohexadiene-1-carbonyl chloride, 4,6,6-trimethyl- (9CI);DTXSID50445669;HGKHQFHUXCJYMP-UHFFFAOYSA-N

Suppliers and Price of 1,3-Cyclohexadiene-1-carbonylchloride, 4,6,6-trimethyl-

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of 1,3-Cyclohexadiene-1-carbonylchloride, 4,6,6-trimethyl-

Chemical Property:

PSA：17.07000
LogP:3.05440
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:184.0654927
Heavy Atom Count:12
Complexity:272

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C(C1)(C)C)C(=O)Cl

Technology Process of 1,3-Cyclohexadiene-1-carbonylchloride, 4,6,6-trimethyl-

There total 3 articles about 1,3-Cyclohexadiene-1-carbonylchloride, 4,6,6-trimethyl- 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: 80.0%

: 103441-05-0
4,6,6-Trimethylcyclohexa-1,3-dienecarboxylic acid

: 179104-42-8
4,6,6-Trimethylcyclohexa-1,3-dienecarbonyl chloride

Guidance literature:: With oxalyl dichloride; In benzene; for 2h; Ambient temperature;
DOI:10.1039/P19960001213

Reference yield:

: 179104-41-7
Methyl 4,6,6-trimethylcyclohexa-1,3-dienecarboxylate

: 179104-42-8
4,6,6-Trimethylcyclohexa-1,3-dienecarbonyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: 88 percent / KOH / ethanol / 24 h / Heating

2: 80 percent / (COCl)2 / benzene / 2 h / Ambient temperature

With potassium hydroxide; oxalyl dichloride; In ethanol; benzene;
DOI:10.1039/P19960001213

Reference yield:

: 41793-01-5
4,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde

: 179104-42-8
4,6,6-Trimethylcyclohexa-1,3-dienecarbonyl chloride

Guidance literature:: Multi-step reaction with 3 steps

1: 64 percent / MnO₂, NaCN, AcOH / 48 h / Ambient temperature

2: 88 percent / KOH / ethanol / 24 h / Heating

3: 80 percent / (COCl)2 / benzene / 2 h / Ambient temperature

With manganese(IV) oxide; potassium hydroxide; oxalyl dichloride; sodium cyanide; acetic acid; In ethanol; benzene;
DOI:10.1039/P19960001213