2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

Base Information

Chemical Name:2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CAS No.:167482-98-6
Molecular Formula:C19H22 N2
Molecular Weight:278.397
Hs Code.:
European Community (EC) Number:634-100-6
DSSTox Substance ID:DTXSID70401166
Nikkaji Number:J1.278.099K
Wikidata:Q82204217
Mol file:167482-98-6.mol

Synonyms:167482-98-6;1H-Pyrrole, 2,2'-[[4-(1,1-dimethylethyl)phenyl]methylene]bis-;alpha-(4-tert-Butylphenyl)di(2-pyrrolyl)methane;2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole;2,2'-((4-(tert-Butyl)phenyl)methylene)bis(1H-pyrrole);5-(4-tert-Butylphenyl)dipyrromethane;2,2'-(4-tert-Butylphenyl)methylenebispyrrole;SCHEMBL8986298;DTXSID70401166;SLPZWMKFAWAFSE-UHFFFAOYSA-N;MFCD03454220;AKOS015898324;AKOS025394438;AS-71275;-(4-tert-Butylphenyl)di(2-pyrrolyl)methane;a-(4-tert-Butylphenyl)di(2-pyrrolyl)methane;CS-0447813;?-(4-tert-Butylphenyl)di(2-pyrrolyl)methane;J-010370;2,2'-[(4-tert-Butylphenyl)methylene]di(1H-pyrrole);2-[(4-TERT-BUTYLPHENYL)(1H-PYRROL-2-YL)METHYL]-1H-PYRROLE;2,2'-(4-tert-Butylphenyl)methylenebispyrrole 5-(4-tert-Butylphenyl)dipyrromethane

Suppliers and Price of 2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

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

American Custom Chemicals Corporation
5-(4-TERT-BUTYLPHENYL)DIPYRROMETHANE 95.00%
5MG
$ 500.25

Alfa Aesar
alpha-(4-tert-Butylphenyl)di(2-pyrrolyl)methane, 99%
5g
$ 417.00

Alfa Aesar
alpha-(4-tert-Butylphenyl)di(2-pyrrolyl)methane, 99%
1g
$ 105.00

Total 13 raw suppliers

Chemical Property of 2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

Chemical Property:

Melting Point:158-162 °C(lit.)
Boiling Point:448.6±40.0 °C(Predicted)
PKA:16.99±0.50(Predicted)
PSA：31.58000
Density:1.087±0.06 g/cm3(Predicted)
LogP:4.82050
Sensitive.:Air Sensitive
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:4
Exact Mass:278.178298710
Heavy Atom Count:21
Complexity:309

Purity/Quality:

99% ^*data from raw suppliers

5-(4-TERT-BUTYLPHENYL)DIPYRROMETHANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)C(C2=CC=CN2)C3=CC=CN3

Technology Process of 2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

There total 1 articles about 2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole 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: 81.0%

: 109-97-7,30604-81-0
pyrrole

: 939-97-9
4-tert-Butylbenzaldehyde

: 167482-98-6
2,2′-((4-(tert-butyl)phenyl)methylene)bis(1H-pyrrole)

Guidance literature:: With indium(III) chloride; at 55 ℃; for 3h; Inert atmosphere; Darkness;
DOI:10.1021/acs.joc.9b02327

Reference yield: 82.0%

: 557-34-6
zinc diacetate

: 167482-98-6
2,2′-((4-(tert-butyl)phenyl)methylene)bis(1H-pyrrole)

: bis[5-(4-tert-butylphenyl)dipyrrinato]zinc(II)

Guidance literature:: zinc diacetate; 2,2′-((4-(tert-butyl)phenyl)methylene)bis(1H-pyrrole); With chloranil; In tetrahydrofuran; at 20 ℃;

zinc diacetate; In methanol; chloroform; at 20 ℃;

Reference yield: 82.0%

: 5970-45-6
zinc(II) acetate dihydrate

: 167482-98-6
2,2′-((4-(tert-butyl)phenyl)methylene)bis(1H-pyrrole)

: bis[5-(4-tert-butylphenyl)dipyrrinato]zinc(II)

Guidance literature:: With p-chloranil; In tetrahydrofuran; a mixt. of a ligand (0.413 mmol) and Zn-contg. compd. (1.03 mmol) in THFwas treated with p-cloranil (0.413 mmol) overnight at room temp.; the react. mixt. was poured into H2O, extd. with CHCl3, and dried (Na2SO4); the solvent was removed, and the residue was collected into CHCl3 and treated with Zn-contg. compd. (0.413 mmol) in MeOH; chromy. (silica, CH2Cl2); elem. anal.;
DOI:10.1021/ic034559m