2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one

Base Information

Chemical Name:2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one
CAS No.:94386-22-8
Molecular Formula:C₁₆H₁₆N₂O
Molecular Weight:252.316
Hs Code.:
European Community (EC) Number:305-244-4
Nikkaji Number:J382.763A,J3.473.946C
ChEMBL ID:CHEMBL3104703
Mol file:94386-22-8.mol

Synonyms:EINECS 305-244-4;94386-22-8;CHEMBL3104703;2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one;2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexanone;BDBM50445451;(2E,6E)-2,6-Di(2-pyrrolylmethylene)cyclohexane-1-one

Suppliers and Price of 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one

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 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one

Chemical Property:

Vapor Pressure:2.19E-12mmHg at 25°C
Boiling Point:555.7°Cat760mmHg
Flash Point:281.1°C
PSA：48.65000
Density:1.292g/cm³
LogP:3.56280
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:252.126263138
Heavy Atom Count:19
Complexity:375

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(=CC2=CC=CN2)C(=O)C(=CC3=CC=CN3)C1
Isomeric SMILES:C1C/C(=C\C2=CC=CN2)/C(=O)/C(=C/C3=CC=CN3)/C1

Technology Process of 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one

There total 15 articles about 2,6-Bis(1H-pyrrol-2-ylmethylene)cyclohexan-1-one 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: 93.0%

: 1003-29-8,254729-95-8
2-pyrrole aldehyde

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 94386-22-8
(2E,6E)-2,6-bis((1H-pyrrol-2-yl)methylene)cyclohexanone

Guidance literature:: With potassium hydroxide; In ethanol; water; Reflux;
DOI:10.1021/acs.joc.5b01604

Reference yield: 8.4%

: 1003-29-8,254729-95-8
2-pyrrole aldehyde

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 94386-22-8
2,6-bis(2-pyrrolylidene)cyclohexanone

Guidance literature:: With sodium hydroxide; In ethanol; water;
DOI:10.1039/c9nj00726a

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 94386-22-8
(2Z,6Z)-2,6-bis((1H-pyrrol-2-yl)methylene)cyclohexanone

Guidance literature:: Multi-step reaction with 3 steps

1: potassium hydroxide / ethanol; water / Reflux

2: [D₃]acetonitrile / 3.5 h / UV-irradiation

3: dichloromethane-d2 / 2 h / UV-irradiation

With potassium hydroxide; In ethanol; dichloromethane-d2; [D₃]acetonitrile; water;
DOI:10.1021/acs.joc.5b01604