[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol

Base Information

Chemical Name:[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol
CAS No.:182167-59-5
Molecular Formula:C₁₀H₁₆O₄S*C₂₉H₃₁NO₄
Molecular Weight:689.87
Hs Code.:
DSSTox Substance ID:DTXSID20478282

[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol

Synonyms:182167-59-5;CTK4D8090;DTXSID20478282;[(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol

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Chemical Property of [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol

Chemical Property:

Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:689.30223863
Heavy Atom Count:49
Complexity:1080

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C
Isomeric SMILES:CC1=C([C@@H](OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4)C5=CC=C(C=C5)O.CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C

Technology Process of [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol

There total 2 articles about [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonic acid;(2S)-3-(4-hydroxyphenyl)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol 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: 76.0%

: 252353-10-9
(2R,S)-7-hydroxy-3-(4'-hydroxyphenyl)-4-methyl-2-(4-[2'-piperidino]ethoxy)phenyl-2H-1-benzopyran (1S)-10-camphorsulphonic acid salt

: 182167-59-5
(2S)-7-hydroxy-3-(4'-hydroxyphenyl)-4-methyl-2-((4''-[2'''-piperidino]ethoxy)phenyl)-2H-1-benzopyran (1S)-10-camphorsulphonic acid salt

Guidance literature:: In ethanol; water; at 20 - 70 ℃; for 72h;

Reference yield:

: 3144-16-9,61380-66-3
(1S)-10-camphorsulfonic acid

: 151533-33-4
4-hydroxy-4-methyl-2-(4'-[2''-piperidino]ethoxy)phenyl-3-(4'''-tetrahydropyranyloxy)phenyl-7-tetrahydropyranyloxychromane

: 182167-59-5
(2S)-7-hydroxy-3-(4'-hydroxyphenyl)-4-methyl-2-((4''-[2'''-piperidino]ethoxy)phenyl)-2H-1-benzopyran (1S)-10-camphorsulphonic acid salt

: C₂₉H₃₁NO₄*C₁₀H₁₆O₄S

Guidance literature:: In water; acetone; toluene; at 20 ℃; for 48h; Inert atmosphere;

Reference yield: 77.0%

: 182167-59-5
(2S)-7-hydroxy-3-(4'-hydroxyphenyl)-4-methyl-2-((4''-[2'''-piperidino]ethoxy)phenyl)-2H-1-benzopyran (1S)-10-camphorsulphonic acid salt

: 252555-01-4
(S)-(+)-7-hydroxy-3-(4'-hydroxyphenyl)-4-methyl-2-(4''-(2'''-piperidinoethoxy)phenyl)-2H-1-benzopyran hydrochloride

Guidance literature:: (2S)-7-hydroxy-3-(4'-hydroxyphenyl)-4-methyl-2-((4''-[2'''-piperidino]ethoxy)phenyl)-2H-1-benzopyran (1S)-10-camphorsulphonic acid salt; With sodium carbonate; N,N-dimethyl-formamide; In water; for 0.25h;

With hydrogenchloride; In ethanol; water; for 1h;