6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl] Nicotinic Acid Methyl Ester

Base Information

Chemical Name:6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl] Nicotinic Acid Methyl Ester
CAS No.:153559-92-3
Molecular Formula:C23H27 N O3
Molecular Weight:365.47
Hs Code.:
DSSTox Substance ID:DTXSID10471186
Wikidata:Q82299633
Mol file:153559-92-3.mol

Synonyms:153559-92-3;6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl] Nicotinic Acid Methyl Ester;methyl 6-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)pyridine-3-carboxylate;6-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALENE-2-CARBONYL)-NICOTINIC ACID METHYL ESTER;YYRUFECVWILGJZ-UHFFFAOYSA-N;6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl;SCHEMBL6902498;DTXSID10471186;AKOS030255262;6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]nicotinic Acid Methyl Ester;FT-0673591;methyl 6-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]nicotinate;Methyl 6-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)pyridine-3-carboxylate

Suppliers and Price of 6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl] Nicotinic Acid Methyl 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-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]NicotinicAcidMethylEster
250mg
$ 1230.00

TRC
6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]NicotinicAcidMethylEster
25mg
$ 155.00

Total 2 raw suppliers

Chemical Property of 6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl] Nicotinic Acid Methyl Ester

Chemical Property:

PSA：56.26000
LogP:4.75660
Solubility.:Dichloromethane, Ethyl Acetate, Methanol
XLogP3:5.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:365.19909372
Heavy Atom Count:27
Complexity:582

Purity/Quality:

95% ^*data from raw suppliers

6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]NicotinicAcidMethylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2=C(C=C1C(=O)C3=NC=C(C=C3)C(=O)OC)C(CCC2(C)C)(C)C
Uses A RXR selective retinoid

Technology Process of 6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl] Nicotinic Acid Methyl Ester

There total 5 articles about 6-[(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl] Nicotinic Acid Methyl 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: 54.0%

: 6683-48-3
1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene

: 169124-35-0
6-chlorocarbonyl-nicotinic acid methyl ester

: 153559-92-3
methyl 6-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]nicotinate

Guidance literature:: With aluminum (III) chloride; In dichloromethane; at 20 ℃; Reflux;

Reference yield:

: 17874-79-2
pyridine-2,5-dicarboxylic acid 5-methyl ester

: 153559-92-3
methyl 6-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]nicotinate

Guidance literature:: Multi-step reaction with 2 steps

1: (COCl)2; DMF / CH₂Cl₂ / 4 h / 15 - 30 °C

2: AlCl₃ / CH₂Cl₂; nitromethane / 24 h / 15 - 30 °C

With aluminium trichloride; oxalyl dichloride; N,N-dimethyl-formamide; In nitromethane; dichloromethane; 2: Friedel-Crafts acylation;
DOI:10.1021/jo0103064

Reference yield:

: 881-86-7
dimethyl 2,5-pyridine dicarboxylate

: 153559-92-3
methyl 6-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]nicotinate

Guidance literature:: Multi-step reaction with 3 steps

1: 69 percent / NaOH / methanol / Heating

2: (COCl)2; DMF / CH₂Cl₂ / 4 h / 15 - 30 °C

3: AlCl₃ / CH₂Cl₂; nitromethane / 24 h / 15 - 30 °C

With sodium hydroxide; aluminium trichloride; oxalyl dichloride; N,N-dimethyl-formamide; In methanol; nitromethane; dichloromethane; 3: Friedel-Crafts acylation;
DOI:10.1021/jo0103064