Unii-IS4M82C29X

Base Information

Chemical Name:Unii-IS4M82C29X
CAS No.:217318-90-6
Molecular Formula:C₁₈H₁₅NO
Molecular Weight:261.323
Hs Code.:
UNII:IS4M82C29X
DSSTox Substance ID:DTXSID60432621
Nikkaji Number:J1.258.899B,J1.885.566F
Wikipedia:NNC_45-0095
Wikidata:Q27280874
Pharos Ligand ID:UA25YMJ7PZ5L
ChEMBL ID:CHEMBL420017

Synonyms:1-ethyl-2-(4-hydroxyphenyl)pyrrolo(2,1,5-cd)indolizine;NNC 45-0095;NNC-45-0095

Suppliers and Price of Unii-IS4M82C29X

Supply Marketing:

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

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Total 0 raw suppliers

Chemical Property of Unii-IS4M82C29X

Chemical Property:

XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:261.115364102
Heavy Atom Count:20
Complexity:349

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC1=C(C2=CC=C3N2C1=CC=C3)C4=CC=C(C=C4)O

Technology Process of Unii-IS4M82C29X

There total 8 articles about Unii-IS4M82C29X 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: 44.0%

: 1-ethyl-2-(4-methoxyphenyl)pyrrolo[2,1,5-cd]indolizine

: 217318-90-6
NNC 45-0095

Guidance literature:: 1-ethyl-2-(4-methoxyphenyl)pyrrolo[2,1,5-cd]indolizine; With aluminum (III) chloride; ethanethiol; In dichloromethane; for 0.5h;

With hydrogenchloride; water; In tetrahydrofuran; dichloromethane; ethyl acetate; at 0 ℃;

Reference yield:

: 267226-08-4
2-(4-benzyloxy-phenyl)-1-ethyl-pyrrolo[2,1,5-cd]indolizine

: 217318-90-6
NNC 45-0095

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol;
DOI:10.1016/S0960-894X(00)00015-9

Reference yield:

: 622-39-9
2-propylpyridine

: 217318-90-6
NNC 45-0095

Guidance literature:: Multi-step reaction with 5 steps

1.1: acetone / Heating

1.2: aq. NaHCO₃ / Heating

2.1: toluene / 0 °C

2.2: DDQ / Heating

3.1: aq. KOH / methanol / Heating

4.1: Cu; quinoline / 170 °C

5.1: H₂ / Pd/C / ethanol; tetrahydrofuran / 25 °C

With quinoline; potassium hydroxide; hydrogen; copper; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; acetone; toluene; 1.1: quaternization / 1.2: Cyclization / 2.1: Cycloaddition / 2.2: Oxidation / 3.1: Hydrolysis / 4.1: Decarboxylation / 5.1: Hydrogenolysis;
DOI:10.1016/S0960-894X(00)00474-1