(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 1-bromo-2-naphthalenecarboxylate

Base Information

Chemical Name:(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 1-bromo-2-naphthalenecarboxylate
CAS No.:76373-12-1
Molecular Formula:C21H25BrO2
Molecular Weight:389.332
Hs Code.:
DSSTox Substance ID:DTXSID801133652

Synonyms:DTXSID801133652;(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 1-bromo-2-naphthalenecarboxylate;76373-12-1

Suppliers and Price of (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 1-bromo-2-naphthalenecarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 1-bromo-2-naphthalenecarboxylate

Chemical Property:

XLogP3:7.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:388.10379
Heavy Atom Count:24
Complexity:436

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCC(C(C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)Br)C(C)C
Isomeric SMILES:C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)C2=C(C3=CC=CC=C3C=C2)Br)C(C)C

Technology Process of (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 1-bromo-2-naphthalenecarboxylate

There total 2 articles about (1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl 1-bromo-2-naphthalenecarboxylate 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: 78.2%

: 2216-51-5
(-)-menthol

: 76373-11-0
1-bromo-2-naphthoyl chloride

: 76373-12-1
l-menthyl 1-bromo-2-naphthoate

Guidance literature:: In pyridine; benzene; 1) water bath, overnight, 2) reflux, 3 h;
DOI:10.1246/cl.1980.1027

Reference yield:

: 20717-79-7
1-bromo-2-naphthoic acid

: 76373-12-1
l-menthyl 1-bromo-2-naphthoate

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 20 h / 25 °C

2: pyridine / CH₂Cl₂ / 0.5 h / 25 °C

With pyridine; thionyl chloride; In dichloromethane; 1: Substitution / 2: Esterification;
DOI:10.1039/a903740c

Reference yield:

: 76373-12-1
l-menthyl 1-bromo-2-naphthoate

: 2216-51-5
(-)-menthol

: 18531-96-9,80703-23-7,99827-46-0
1,1'-binaphthyl-2,2'-dicarboxylic acid

: 93-09-4
naphthalene-2-carboxylate

Guidance literature:: With potassium hydroxide; copper; Multistep reaction; 1) DMF, reflux, 5 h, 2) aq EtOH, reflux, 5 h;
DOI:10.1246/cl.1980.1027