Acetic acid, [[7-[[2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy)carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, [R-(R,S)]-

Base Information

Chemical Name:Acetic acid, [[7-[[2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy)carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, [R-(R*,S*)]-
CAS No.:121524-14-9
Molecular Formula:C₂₇H₃₄ClNO₆
Molecular Weight:504.023
Hs Code.:
European Community (EC) Number:601-782-1
DSSTox Substance ID:DTXSID301099883

Acetic acid, [[7-[[2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy)carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, [R-(R*,S*)]-

Synonyms:DTXSID301099883;121524-14-9;Acetic acid, [[7-[[2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy)carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, [R-(R*,S*)]-

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Chemical Property of Acetic acid, [[7-[[2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy)carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, [R-(R*,S*)]-

Chemical Property:

XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:11
Exact Mass:503.2074655
Heavy Atom Count:35
Complexity:698

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)COC1=CC2=C(CCC(C2)N(CC(C3=CC(=CC=C3)Cl)O)C(=O)OC(C)(C)C)C=C1
Isomeric SMILES:CCOC(=O)COC1=CC2=C(CC[C@@H](C2)N(C[C@@H](C3=CC(=CC=C3)Cl)O)C(=O)OC(C)(C)C)C=C1

Technology Process of Acetic acid, [[7-[[2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy)carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, [R-(R*,S*)]-

There total 7 articles about Acetic acid, [[7-[[2-(3-chlorophenyl)-2-hydroxyethyl][(1,1-dimethylethoxy)carbonyl]amino]-5,6,7,8-tetrahydro-2-naphthalenyl]oxy]-, ethyl ester, [R-(R*,S*)]- 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

: 121524-14-9
((S)-7-{tert-Butoxycarbonyl-[(R)-2-(3-chloro-phenyl)-2-hydroxy-ethyl]-amino}-5,6,7,8-tetrahydro-naphthalen-2-yloxy)-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 2.3 g / TEA / dimethylformamide / 3 h / Ambient temperature

2: K₂CO₃ / acetone / 6 h / Heating

With TEA; potassium carbonate; In N,N-dimethyl-formamide; acetone;
DOI:10.1016/0223-5234(94)90095-7

Reference yield:

: 4003-89-8,118298-16-1
2-amino-7-methoxy-1,2,3,4-tetrahydronaphthalene

: 121524-14-9
((S)-7-{tert-Butoxycarbonyl-[(R)-2-(3-chloro-phenyl)-2-hydroxy-ethyl]-amino}-5,6,7,8-tetrahydro-naphthalen-2-yloxy)-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 6 steps

2: 30 percent / 1.) 48percent HBr aq., 2.) NH₄OH / 3 h / Heating

3: 63.4 percent / benzotriazol-1-yloxy-tris(dimethylamino)hposphonium hexafluorophosphate, TEA / CH₂Cl₂ / 5 h / Ambient temperature

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

5: 2.3 g / TEA / dimethylformamide / 3 h / Ambient temperature

6: K₂CO₃ / acetone / 6 h / Heating

With ammonium hydroxide; dimethylsulfide borane complex; TEA; hydrogen bromide; potassium carbonate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; acetone;
DOI:10.1016/0223-5234(94)90095-7

Reference yield:

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

: 121524-14-9
((S)-7-{tert-Butoxycarbonyl-[(R)-2-(3-chloro-phenyl)-2-hydroxy-ethyl]-amino}-5,6,7,8-tetrahydro-naphthalen-2-yloxy)-acetic acid ethyl ester

Guidance literature:: Multi-step reaction with 4 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

4: K₂CO₃ / acetone / 6 h / Heating

With dimethylsulfide borane complex; TEA; potassium carbonate; (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; acetone;
DOI:10.1016/0223-5234(94)90095-7