1-[5-Hydroxy-1-(4-methoxy-phenyl)-2-methyl-1H-indol-3-yl]-ethanone

Base Information

Chemical Name:1-[5-Hydroxy-1-(4-methoxy-phenyl)-2-methyl-1H-indol-3-yl]-ethanone
CAS No.:5546-17-8
Molecular Formula:C18H17NO3
Molecular Weight:295.33
Hs Code.:
DSSTox Substance ID:DTXSID50349734
Nikkaji Number:J33.384K
Wikidata:Q82125166
ChEMBL ID:CHEMBL1502224
Mol file:5546-17-8.mol

Synonyms:5546-17-8;1-[5-Hydroxy-1-(4-methoxy-phenyl)-2-methyl-1H-indol-3-yl]-ethanone;SMR000034636;MLS000027600;1-[5-hydroxy-1-(4-methoxyphenyl)-2-methylindol-3-yl]ethanone;Amendol;1-(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-1H-indol-3-yl)ethanone;1-[5-hydroxy-1-(4-methoxyphenyl)-2-methyl-1H-indol-3-yl]ethanone;cid_658914;CHEMBL1502224;BDBM36891;DTXSID50349734;HMS2350K10;KUC109811N;CCG-22085;STK877736;AKOS001677882;KSC-248-003;NCGC00019067-01;NCGC00019067-02;NCGC00019067-03;NCGC00019067-04;NCGC00019067-05;EU-0013769;MLS000027600-01;MLS000027600-02;AB00382719-06;AE-848/31849026;SR-01000001010;SR-01000001010-2;1-[5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolyl]ethanone;1-[1-(4-methoxyphenyl)-2-methyl-5-oxidanyl-indol-3-yl]ethanone;1-[5-hydroxy-1-(4-methoxyphenyl)-2-methyl-indol-3-yl]ethanone

Suppliers and Price of 1-[5-Hydroxy-1-(4-methoxy-phenyl)-2-methyl-1H-indol-3-yl]-ethanone

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
1-[5-HYDROXY-1-(4-METHOXY-PHENYL)-2-METHYL-1H-INDOL-3-YL]ETHANONE 95.00%
5MG
$ 498.94

Total 6 raw suppliers

Chemical Property of 1-[5-Hydroxy-1-(4-methoxy-phenyl)-2-methyl-1H-indol-3-yl]-ethanone

Chemical Property:

Vapor Pressure:2.01E-07mmHg at 25°C
Melting Point:262-263 °C
Boiling Point:413.4°C at 760 mmHg
PKA:9.04±0.40(Predicted)
Flash Point:203.8°C
PSA：51.46000
Density:1.2g/cm³
LogP:3.85570
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:295.12084340
Heavy Atom Count:22
Complexity:405

Purity/Quality:

99% ^*data from raw suppliers

1-[5-HYDROXY-1-(4-METHOXY-PHENYL)-2-METHYL-1H-INDOL-3-YL]ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C(N1C3=CC=C(C=C3)OC)C=CC(=C2)O)C(=O)C

Technology Process of 1-[5-Hydroxy-1-(4-methoxy-phenyl)-2-methyl-1H-indol-3-yl]-ethanone

There total 5 articles about 1-[5-Hydroxy-1-(4-methoxy-phenyl)-2-methyl-1H-indol-3-yl]-ethanone 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: 54.0%

: 1-acetyl-2--1-propene

: 106-51-4
p-benzoquinone

: 5546-17-8
1-(p-Methoxyphenyl)-2-methyl-3-acetyl-5-oxyindole

Guidance literature:: p-benzoquinone; With zinc(II) chloride; In toluene; at 50 ℃; for 1.5h;

1-acetyl-2--1-propene; In toluene; at 50 ℃; for 3h;
DOI:10.1021/acs.jmedchem.1c00584

Reference yield: 40.0%

: 1-acetyl-2--1-propene

: 106-51-4
p-benzoquinone

: 28241-99-8
1-(5-hydroxy-2-methylbenzofuran-3-yl)ethan-1-one

: 5546-17-8
1-(p-Methoxyphenyl)-2-methyl-3-acetyl-5-oxyindole

Guidance literature:: In 1,2-dichloro-ethane; Ambient temperature;
DOI:10.1007/BF00781075

Reference yield:

: 123-54-6,81235-32-7
acetylacetone

: 5546-17-8
1-(p-Methoxyphenyl)-2-methyl-3-acetyl-5-oxyindole

Guidance literature:: Multi-step reaction with 2 steps

1.1: acetic acid / toluene / 3 h / 110 °C

2.1: zinc(II) chloride / toluene / 1.5 h / 50 °C

2.2: 3 h / 50 °C

With acetic acid; zinc(II) chloride; In toluene;
DOI:10.1021/acs.jmedchem.1c00584