Naphthalen-2-yl (1R,4R,7R)-5-methyl-7-(propan-2-yl)bicyclo[2.2.2]octa-2,5-diene-2-carboxylate

Base Information

Chemical Name:Naphthalen-2-yl (1R,4R,7R)-5-methyl-7-(propan-2-yl)bicyclo[2.2.2]octa-2,5-diene-2-carboxylate
CAS No.:1188966-75-7
Molecular Formula:C23H24O2
Molecular Weight:332.44
Hs Code.:
European Community (EC) Number:693-841-3
DSSTox Substance ID:DTXSID50705472
Nikkaji Number:J2.765.152F
Wikidata:Q76728044
Mol file:1188966-75-7.mol

Synonyms:1188966-75-7;Naphthalen-2-yl (1R,4R,7R)-5-methyl-7-(propan-2-yl)bicyclo[2.2.2]octa-2,5-diene-2-carboxylate;DTXSID50705472;NAPHTHALEN-2-YL (1R,4R,7R)-7-ISOPROPYL-5-METHYLBICYCLO[2.2.2]OCTA-2,5-DIENE-2-CARBOXYLATE;(1R,4R,7R)-5-Methyl-7-isopropylbicyclo[2.2.2]octa-2,5-diene-2-carboxylic acid 2-naphthyl ester;2-Naphthyl (1R,4R,7R)-7-isopropyl-5-methylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate, 97%;naphthalen-2-yl (1R,4R,7S)-5-methyl-7-propan-2-ylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate

Suppliers and Price of Naphthalen-2-yl (1R,4R,7R)-5-methyl-7-(propan-2-yl)bicyclo[2.2.2]octa-2,5-diene-2-carboxylate

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

Sigma-Aldrich
2-Naphthyl (1R,4R,7R)-7-isopropyl-5-methylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate 97%
1g
$ 74.30

American Custom Chemicals Corporation
2-Naphthyl (1R,4R,7R)-7-isopropyl-5-methylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate 95.00%
1G
$ 677.93

Total 2 raw suppliers

Chemical Property of Naphthalen-2-yl (1R,4R,7R)-5-methyl-7-(propan-2-yl)bicyclo[2.2.2]octa-2,5-diene-2-carboxylate

Chemical Property:

Melting Point:90-94°C
Boiling Point:485.2±40.0 °C(Predicted)
PSA：26.30000
Density:1.127±0.06 g/cm3(Predicted)
LogP:5.53980
XLogP3:6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:332.177630004
Heavy Atom Count:25
Complexity:585

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Naphthyl (1R,4R,7R)-7-isopropyl-5-methylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:N
Statements: 50/53
Safety Statements: 60-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC2C(CC1C=C2C(=O)OC3=CC4=CC=CC=C4C=C3)C(C)C
Isomeric SMILES:CC1=C[C@H]2[C@H](C[C@@H]1C=C2C(=O)OC3=CC4=CC=CC=C4C=C3)C(C)C

Technology Process of Naphthalen-2-yl (1R,4R,7R)-5-methyl-7-(propan-2-yl)bicyclo[2.2.2]octa-2,5-diene-2-carboxylate

There total 6 articles about Naphthalen-2-yl (1R,4R,7R)-5-methyl-7-(propan-2-yl)bicyclo[2.2.2]octa-2,5-diene-2-carboxylate 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: 75.0%

: 1252606-18-0
(1R,4R,7R)-7-isopropyl-5-methylbicyclo[2.2.2]octane-2,5-diene-2-carboxylic acid

: 135-19-3
β-naphthol

: 1188966-75-7
(1R,4R,7R)-naphthalen-2-yl 7-isopropyl-5-methylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate

Guidance literature:: Inert atmosphere; Schlenk technique;
DOI:10.1039/c6ob02202b

Reference yield: 73.0%

: 91805-17-3
naphthalen-2-yl prop-2-ynoate

: 1184-58-3
dimethylaluminum chloride

: 4221-98-1
(R)-5-isopropyl-2-methylcyclohexa-1,3-diene

: 1188966-75-7
(1R,4R,7R)-naphthalen-2-yl 7-isopropyl-5-methylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate

Guidance literature:: In hexane; dichloromethane; at -78 ℃;
DOI:10.1021/ol4011739

Reference yield: 67.0%

: 91805-17-3
naphthalen-2-yl prop-2-ynoate

: 4221-98-1
(R)-5-isopropyl-2-methylcyclohexa-1,3-diene

: 1188966-75-7
(1R,4R,7R)-naphthalen-2-yl 7-isopropyl-5-methylbicyclo[2.2.2]octa-2,5-diene-2-carboxylate

Guidance literature:: With dimethylaluminum chloride; In hexane; dichloromethane; at -78 - 20 ℃; optical yield given as %ee;
DOI:10.1039/b904624k