1H-Pyrrole-2-carboxaldehyde, 3-chloro-1-(1,1-dimethylethyl)-5-phenyl-

Base Information

Chemical Name:1H-Pyrrole-2-carboxaldehyde, 3-chloro-1-(1,1-dimethylethyl)-5-phenyl-
CAS No.:850642-18-1
Molecular Formula:C15H16ClNO
Molecular Weight:261.751
Hs Code.:
DSSTox Substance ID:DTXSID60479697
Nikkaji Number:J2.168.108C
Wikidata:Q82313842

Synonyms:850642-18-1;1-(tert-Butyl)-3-chloro-5-phenyl-1H-pyrrole-2-carbaldehyde;1H-Pyrrole-2-carboxaldehyde, 3-chloro-1-(1,1-dimethylethyl)-5-phenyl-;DTXSID60479697

Suppliers and Price of 1H-Pyrrole-2-carboxaldehyde, 3-chloro-1-(1,1-dimethylethyl)-5-phenyl-

Supply Marketing:

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

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Chemical Property of 1H-Pyrrole-2-carboxaldehyde, 3-chloro-1-(1,1-dimethylethyl)-5-phenyl-

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:261.0920418
Heavy Atom Count:18
Complexity:293

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)N1C(=CC(=C1C=O)Cl)C2=CC=CC=C2

Technology Process of 1H-Pyrrole-2-carboxaldehyde, 3-chloro-1-(1,1-dimethylethyl)-5-phenyl-

There total 5 articles about 1H-Pyrrole-2-carboxaldehyde, 3-chloro-1-(1,1-dimethylethyl)-5-phenyl- 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: 71.0%

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

: 850641-90-6
1-tert-butyl-4-chloro-2-phenylpyrrole

: 1-tert-butyl-4-chloro-2-phenyl-1H-pyrrole-3-carbaldehyde

: 850642-18-1
1-tert-butyl-3-chloro-2-formyl-5-phenylpyrrole

Guidance literature:: With trichlorophosphate; In dichloromethane; at 0 ℃; for 5h;
DOI:10.1016/j.tet.2005.01.087

Reference yield:

: 850641-80-4
1-tert-butyl-3-chloro-2-cyano-5-phenyl-2-pyrroline

: 850642-18-1
1-tert-butyl-3-chloro-2-formyl-5-phenylpyrrole

Guidance literature:: Multi-step reaction with 2 steps

1: 52 percent / NaOMe / methanol / 2 h / Heating

2: 71 percent / POCl₃ / CH₂Cl₂ / 5 h / 0 °C

With sodium methylate; trichlorophosphate; In methanol; dichloromethane; 2: Vilsmeier formylation;
DOI:10.1016/j.tet.2005.01.087

Reference yield:

: 1-chloro-2-phenylcyclopropane-1-carbaldehyde

: 850642-18-1
1-tert-butyl-3-chloro-2-formyl-5-phenylpyrrole

Guidance literature:: Multi-step reaction with 5 steps

1.1: HCl / dimethylformamide / 0.33 h / 40 - 60 °C

1.2: 81 percent / Cl₂ / dimethylformamide / 0.33 h / 65 - 70 °C

2.1: TiCl₄ / diethyl ether; pentane / 15 h / 20 °C

3.1: methanol / 4 h / Heating

4.1: 52 percent / NaOMe / methanol / 2 h / Heating

5.1: 71 percent / POCl₃ / CH₂Cl₂ / 5 h / 0 °C

With hydrogenchloride; sodium methylate; titanium tetrachloride; trichlorophosphate; In methanol; diethyl ether; dichloromethane; N,N-dimethyl-formamide; pentane; 5.1: Vilsmeier formylation;
DOI:10.1016/j.tet.2005.01.087