6-Acetyl-N-caboxylate Melatonin Ethyl Ester

Base Information

Chemical Name:6-Acetyl-N-caboxylate Melatonin Ethyl Ester
CAS No.:188397-05-9
Molecular Formula:C₁₈H₂₂N₂O₅
Molecular Weight:346.383
Hs Code.:
DSSTox Substance ID:DTXSID80472302
Nikkaji Number:J1.864.954C
Wikidata:Q82301151
Mol file:188397-05-9.mol

Synonyms:6-Acetyl-N-caboxylate Melatonin Ethyl Ester;188397-05-9;ethyl 3-(2-acetamidoethyl)-6-acetyl-5-methoxyindole-1-carboxylate;6-Acetyl-3-[2-(acetylamino)ethyl]-5-methoxy-H-indole-1-carboxylic Acid Ethyl Ester;LDCAAXMIAGUBJA-UHFFFAOYSA-N;AGN-PC-00FUOO;SCHEMBL6950312;DTXSID80472302;FT-0661184;N-[2-(6-acetyl- 1-carbethoxy- 5-methoxyindol-3-yl)ethyl]acetamide;N-[2-(6-acetyl-1-carbethoxy-5-methoxyindol-3-yl) ethyl]acetamide

Suppliers and Price of 6-Acetyl-N-caboxylate Melatonin Ethyl Ester

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

TRC
6-Acetyl-N-caboxylateMelatoninEthylEster
100 mg
$ 180.00

Medical Isotopes, Inc.
6-Acetyl-N-caboxylateMelatoninEthylEster
100 mg
$ 675.00

Medical Isotopes, Inc.
6-Acetyl-N-caboxylateMelatoninEthylEster
1 g
$ 2400.00

Biosynth Carbosynth
6-Acetyl-N-caboxylate melatonin ethyl ester
50 mg
$ 1051.50

Biosynth Carbosynth
6-Acetyl-N-caboxylate melatonin ethyl ester
10 mg
$ 318.00

Biosynth Carbosynth
6-Acetyl-N-caboxylate melatonin ethyl ester
100 mg
$ 1911.00

Biosynth Carbosynth
6-Acetyl-N-caboxylate melatonin ethyl ester
5 mg
$ 174.90

Biosynth Carbosynth
6-Acetyl-N-caboxylate melatonin ethyl ester
25 mg
$ 578.50

American Custom Chemicals Corporation
6-ACETYL-N-CABOXYLATE MELATONIN ETHYL ESTER 95.00%
5MG
$ 497.37

AK Scientific
6-Acetyl-N-caboxylateMelatoninEthylEster
50mg
$ 1469.00

Total 1 raw suppliers

Chemical Property of 6-Acetyl-N-caboxylate Melatonin Ethyl Ester

Chemical Property:

Melting Point:184-185 °C
PKA:16.11±0.46(Predicted)
PSA：90.12000
Density:1.22±0.1 g/cm3(Predicted)
LogP:3.37600
Storage Temp.:-20°C Freezer
Solubility.:DMSO (Slightly, Sonicated), Methanol (Slightly)
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:346.15287181
Heavy Atom Count:25
Complexity:510

Purity/Quality:: 6-Acetyl-N-caboxylateMelatoninEthylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)N1C=C(C2=CC(=C(C=C21)C(=O)C)OC)CCNC(=O)C
Uses 6-Acetyl-3-[2-(acetylaMino)ethyl]-5-Methoxy-H-indole-1-carboxylic Acid Ethyl Ester is used in the preparation of 6-hydroxymelatonin (H944625), a human metabolite of melatonin (M215000).

Technology Process of 6-Acetyl-N-caboxylate Melatonin Ethyl Ester

There total 3 articles about 6-Acetyl-N-caboxylate Melatonin Ethyl Ester 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: 84.0%

: 75-36-5
acetyl chloride

: 519186-54-0
3-(2-acetylamino-ethyl)-5-methoxy-indole-1-carboxylic acid ethyl ester

: 188397-05-9
N-[2-(6-acetyl-1-carbethoxy-5-methoxyindol-3-yl) ethyl]acetamide

Guidance literature:: With aluminium trichloride; In 1,2-dichloro-ethane; at 20 ℃; for 0.5h;
DOI:10.1016/S0040-4039(02)02763-6

Reference yield:

: 73-31-4
5-methoxy-N-acetyl-tryptamine

: 188397-05-9
N-[2-(6-acetyl-1-carbethoxy-5-methoxyindol-3-yl) ethyl]acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 93 percent / sodium hydroxide; tetrabutylammonium hydrogensulfate / CH₂Cl₂ / 1 h / 20 °C

2: 84 percent / aluminum chloride / 1,2-dichloro-ethane / 0.5 h / 20 °C

With sodium hydroxide; aluminium trichloride; tetra(n-butyl)ammonium hydrogensulfate; In dichloromethane; 1,2-dichloro-ethane; 2: Friedel-Crafts acylation;
DOI:10.1016/S0040-4039(02)02763-6