(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-hydroxy-5,6,7,8-tetrahydronaphthalene

Base Information Edit

Chemical Name:(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-hydroxy-5,6,7,8-tetrahydronaphthalene
CAS No.:121216-31-7
Molecular Formula:C₁₈H₂₀ClNO₂
Molecular Weight:317.815
Hs Code.:
European Community (EC) Number:601-755-4
DSSTox Substance ID:DTXSID901123466
Mol file:121216-31-7.mol

Synonyms:SCHEMBL6133378;CKZTVXSBPWEACF-WMZOPIPTSA-N;DTXSID901123466;(7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-hydroxy-5,6,7,8-tetrahydronaphthalene;(7S)-7-[[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino]-5,6,7,8-tetrahydro-2-naphthalenol;121216-31-7

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

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Chemical Property of (7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-hydroxy-5,6,7,8-tetrahydronaphthalene Edit

Chemical Property:

Vapor Pressure:1.54E-12mmHg at 25°C
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:317.1182566
Heavy Atom Count:22
Complexity:354

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC2=C(CC1NCC(C3=CC(=CC=C3)Cl)O)C=C(C=C2)O
Isomeric SMILES:C1CC2=C(C[C@H]1NC[C@@H](C3=CC(=CC=C3)Cl)O)C=C(C=C2)O

Technology Process of (7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-hydroxy-5,6,7,8-tetrahydronaphthalene

There total 10 articles about (7S)-7-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-hydroxy-5,6,7,8-tetrahydronaphthalene 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: 67.0%

: 121251-84-1
(-)-N-<(2S)-7-hydroxy-1,2,3,4-tetrahydronaphth-2-yl>-(R)-3-chloromandelamide

: 121216-31-7
N-<(2S)-7-hydroxy-1,2,3,4-tetrahydronaphth-2-yl>-(2R)-2-(3-chlorphenyl)-2-hydroxyethanamine

Guidance literature:: With dimethylsulfide borane complex; In tetrahydrofuran; for 4h; Heating;
DOI:10.1016/0223-5234(94)90095-7

Reference yield:

: 132990-84-2
(2S)-N-benzyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

: 121216-31-7
N-<(2S)-7-hydroxy-1,2,3,4-tetrahydronaphth-2-yl>-(2R)-2-(3-chlorphenyl)-2-hydroxyethanamine

Guidance literature:: Multi-step reaction with 3 steps

1: boron tribromide / dichloromethane / 4 - 20 °C / Inert atmosphere

2: palladium 10% on activated carbon; hydrogen / methanol / 2 h

3: ethanol / Reflux

With palladium 10% on activated carbon; hydrogen; boron tribromide; In methanol; ethanol; dichloromethane;
DOI:10.1021/jm800222k

Reference yield:

: 603122-70-9
(7S)-7-(benzylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

: 121216-31-7
N-<(2S)-7-hydroxy-1,2,3,4-tetrahydronaphth-2-yl>-(2R)-2-(3-chlorphenyl)-2-hydroxyethanamine

Guidance literature:: Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / methanol / 2 h

2: ethanol / Reflux

With palladium 10% on activated carbon; hydrogen; In methanol; ethanol;
DOI:10.1021/jm800222k