1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole

Base Information

Chemical Name:1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole
CAS No.:95337-71-6
Molecular Formula:C16H21N
Molecular Weight:227.34500
Hs Code.:
DSSTox Substance ID:DTXSID101203733
Mol file:95337-71-6.mol

Synonyms:1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole;1-(4-tert-butylphenyl)-2,5-dimethylpyrrole;SCHEMBL13167610;DTXSID101203733;STK197116;AKOS000285577;95337-71-6;AN-648/40769986;1-[4-(1,1-Dimethylethyl)phenyl]-2,5-dimethyl-1H-pyrrole

Suppliers and Price of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole

Supply Marketing:

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

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Chemical Property of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole

Chemical Property:

Melting Point:83 °C (ethanol)
PSA：4.93000
LogP:4.39160
XLogP3:4.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:2
Exact Mass:227.167399674
Heavy Atom Count:17
Complexity:235

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC=C(N1C2=CC=C(C=C2)C(C)(C)C)C

Technology Process of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole

There total 1 articles about 1-(4-tert-butylphenyl)-2,5-dimethyl-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: 97.0%

: 769-92-6
4-tert-Butylaniline

: 110-13-4
2,5-hexanedione

: 95337-71-6
1-(1-(4-tert-butyl)phenyl)-4-yl-2,5-dimethyl-1H-pyrrole

Guidance literature:: With toluene-4-sulfonic acid; In toluene; at 110 ℃; for 16h; Inert atmosphere;
DOI:10.1021/acsmedchemlett.0c00647

Reference yield: 57.0%

: 95337-71-6
1-(1-(4-tert-butyl)phenyl)-4-yl-2,5-dimethyl-1H-pyrrole

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 1-(1-(4-tert-butyl)phenyl)-4-yl-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

Guidance literature:: N,N-dimethyl-formamide; With trichlorophosphate; at 0 ℃; for 0.5h; Inert atmosphere;

1-(1-(4-tert-butyl)phenyl)-4-yl-2,5-dimethyl-1H-pyrrole; at 20 ℃; for 1h; Inert atmosphere;
DOI:10.1021/acsmedchemlett.0c00647

Reference yield:

: 95337-71-6
1-(1-(4-tert-butyl)phenyl)-4-yl-2,5-dimethyl-1H-pyrrole

: (Z)-5-[(1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene]thiazolidine-2,4-dione

Guidance literature:: Multi-step reaction with 2 steps

1.1: trichlorophosphate / 0.5 h / 0 °C / Inert atmosphere

1.2: 1 h / 20 °C / Inert atmosphere

2.1: piperidine / toluene / 1 h / 110 °C / Inert atmosphere

With piperidine; trichlorophosphate; In toluene; 1.1: |Vilsmeier-Haack Formylation / 1.2: |Vilsmeier-Haack Formylation / 2.1: |Knoevenagel Condensation;
DOI:10.1021/acsmedchemlett.0c00647