1-(3,4,5-Trimethoxybenzoyl)indoline

Base Information

• Chemical Name: 1-(3,4,5-Trimethoxybenzoyl)indoline
• CAS No.: 313496-16-1
• Molecular Formula: C₁₈H₁₉NO₄
• Molecular Weight: 313.353
• DSSTox Substance ID: DTXSID901325391
• ChEMBL ID: CHEMBL1254747
• Mol file: 313496-16-1.mol

Synonyms:1-(3,4,5-trimethoxybenzoyl)indoline;313496-16-1;2,3-dihydroindol-1-yl-(3,4,5-trimethoxyphenyl)methanone;indolin-1-yl(3,4,5-trimethoxyphenyl)methanone;Oprea1_194727;Oprea1_583294;CBDivE_000360;MLS001209856;F1012-0008;CHEMBL1254747;DTXSID901325391;HMS1673A16;HMS2843C16;(2,3-Dihydro-indol-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone;STK058161;AKOS000490380;SMR000518167;AB00073744-01;AK-968/05693022;SR-01000389873;SR-01000389873-1;2,3-dihydro-1H-indol-1-yl(3,4,5-trimethoxyphenyl)methanone

Chemical Property of 1-(3,4,5-Trimethoxybenzoyl)indoline

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 313.13140809
• Heavy Atom Count: 23
• Complexity: 402

Purity/Quality:

1-(3,4,5-trimethoxybenzoyl)indoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC3=CC=CC=C32

Technology Process of 1-(3,4,5-Trimethoxybenzoyl)indoline

There total 3 articles about 1-(3,4,5-Trimethoxybenzoyl)indoline 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: 95.0%

1-indoline (496-15-1) + 3,4,5-trimethoxybenzoic acid methyl ester (1916-07-0) → indolin-1-yl(3,4,5-trimethoxyphenyl)methanone (313496-16-1)

Guidance literature:

With C₁₈H₁₅IMnN₃O₃; sodium t-butanolate; In toluene; at 120 ℃; for 18h; Time; Catalytic behavior; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.joc.0c02478

Reference yield: 90.0%

1-indoline (496-15-1) + 3,4,5-Trimethoxybenzoyl chloride (4521-61-3) → indolin-1-yl(3,4,5-trimethoxyphenyl)methanone (313496-16-1)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 6h;

DOI:10.1016/j.bioorg.2019.103190

Reference yield:

1-indoline (496-15-1) + 3,4,5-trimethoxyphenylacetyl chloride (39053-78-6) → indolin-1-yl(3,4,5-trimethoxyphenyl)methanone (313496-16-1)

Guidance literature:

With potassium carbonate; In acetone; at 60 ℃; for 6h;

DOI:10.1016/j.bmcl.2021.128131

upstream raw materials:

1-indoline

3,4,5-Trimethoxybenzoyl chloride

3,4,5-trimethoxybenzoic acid methyl ester

3,4,5-trimethoxyphenylacetyl chloride

Downstream raw materials:

N-(2,6-dimethylphenyl)-3,4,5-trimethoxybenzamide

(S)-(+)-2-phenylindoline

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