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

Base Information

Chemical Name:(7S)-7-[N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-(tert-butoxycarbonyl)amino]-2-hydroxy-5,6,7,8-tetrahydronaphthalene
CAS No.:121489-29-0
Molecular Formula:C₂₃H₂₈ClNO₄
Molecular Weight:417.933
Hs Code.:
European Community (EC) Number:601-781-6
DSSTox Substance ID:DTXSID001104491

Synonyms:SCHEMBL6133817;VVLSRRNZBJETAC-FPOVZHCZSA-N;DTXSID001104491;(7S)-7-[N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-(tert-butoxycarbonyl)amino]-2-hydroxy-5,6,7,8-tetrahydronaphthalene;121489-29-0;1,1-Dimethylethyl N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-[(2S)-1,2,3,4-tetrahydro-7-hydroxy-2-naphthalenyl]carbamate;tert-butyl N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-[(2S)-7-hydroxy-1,2,3,4-tetrahydro-2-naphthalenyl]carbamate

Suppliers and Price of (7S)-7-[N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-(tert-butoxycarbonyl)amino]-2-hydroxy-5,6,7,8-tetrahydronaphthalene

Supply Marketing:

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

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

Chemical Property:

Vapor Pressure:0mmHg at 25°C
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:417.1706861
Heavy Atom Count:29
Complexity:552

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N(CC(C1=CC(=CC=C1)Cl)O)C2CCC3=C(C2)C=C(C=C3)O
Isomeric SMILES:CC(C)(C)OC(=O)N(C[C@@H](C1=CC(=CC=C1)Cl)O)[C@H]2CCC3=C(C2)C=C(C=C3)O

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

There total 10 articles about (7S)-7-[N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-N-(tert-butoxycarbonyl)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:

: 24424-99-5
di-tert-butyl dicarbonate

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

: 121489-29-0
tert-butyl [(2R)-2-(3-chlorophenyl)-2-hydroxyethyl][(2S)-7-hydroxy-1,2,3,4-tetrahydro-2-naphthalenyl]carbamate

Guidance literature:: With TEA; In N,N-dimethyl-formamide; for 3h; Ambient temperature;
DOI:10.1016/0223-5234(94)90095-7

Reference yield:

: 85951-60-6
(-)-7-OH-AT

: 121489-29-0
tert-butyl [(2R)-2-(3-chlorophenyl)-2-hydroxyethyl][(2S)-7-hydroxy-1,2,3,4-tetrahydro-2-naphthalenyl]carbamate

Guidance literature:: Multi-step reaction with 3 steps

1: 63.4 percent / benzotriazol-1-yloxy-tris(dimethylamino)hposphonium hexafluorophosphate, TEA / CH₂Cl₂ / 5 h / Ambient temperature

2: 67 percent / BH₃*S(CH₃)2 / tetrahydrofuran / 4 h / Heating

3: 2.3 g / TEA / dimethylformamide / 3 h / Ambient temperature

With dimethylsulfide borane complex; TEA; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide;
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

: 121489-29-0
tert-butyl [(2R)-2-(3-chlorophenyl)-2-hydroxyethyl][(2S)-7-hydroxy-1,2,3,4-tetrahydro-2-naphthalenyl]carbamate

Guidance literature:: Multi-step reaction with 4 steps

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

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

3: ethanol / Reflux

4: tetrahydrofuran / 20 °C

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