2-Azabicyclo[3.3.1]nonane-2-carboxylic acid, 7-[[3-(3,4-dihydro-2(1H)-isoquinolinyl)-1-oxopropyl]amino]-4-methyl-5-[3 -(1-methylethoxy)phenyl]-, 1,1-dimethylethyl ester, (1R,4S,5S,7R)-

Base Information

Chemical Name:2-Azabicyclo[3.3.1]nonane-2-carboxylic acid, 7-[[3-(3,4-dihydro-2(1H)-isoquinolinyl)-1-oxopropyl]amino]-4-methyl-5-[3 -(1-methylethoxy)phenyl]-, 1,1-dimethylethyl ester, (1R,4S,5S,7R)-
CAS No.:881686-06-2
Molecular Formula:C35H49N3O4
Molecular Weight:575.792
Hs Code.:

2-Azabicyclo[3.3.1]nonane-2-carboxylic acid,
7-[[3-(3,4-dihydro-2(1H)-isoquinolinyl)-1-oxopropyl]amino]-4-methyl-5-[3
-(1-methylethoxy)phenyl]-, 1,1-dimethylethyl ester, (1R,4S,5S,7R)-

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Chemical Property of 2-Azabicyclo[3.3.1]nonane-2-carboxylic acid, 7-[[3-(3,4-dihydro-2(1H)-isoquinolinyl)-1-oxopropyl]amino]-4-methyl-5-[3 -(1-methylethoxy)phenyl]-, 1,1-dimethylethyl ester, (1R,4S,5S,7R)-

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Technology Process of 2-Azabicyclo[3.3.1]nonane-2-carboxylic acid, 7-[[3-(3,4-dihydro-2(1H)-isoquinolinyl)-1-oxopropyl]amino]-4-methyl-5-[3 -(1-methylethoxy)phenyl]-, 1,1-dimethylethyl ester, (1R,4S,5S,7R)-

There total 7 articles about 2-Azabicyclo[3.3.1]nonane-2-carboxylic acid, 7-[[3-(3,4-dihydro-2(1H)-isoquinolinyl)-1-oxopropyl]amino]-4-methyl-5-[3 -(1-methylethoxy)phenyl]-, 1,1-dimethylethyl ester, (1R,4S,5S,7R)- 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: 85.0%

: 846576-15-6
3-(3,4-dihydro-1H-isoquinolin-2-yl)propionic acid hydrochloride

: 881686-05-1
tert-butyl (1R,4S,5R,7R)-7-amino-5-(3-isopropoxyphenyl)-4-methyl-2-azabicyclo[3.3.1]nonane-2-carboxylate

: 881686-06-2
tert-butyl (1R,4S,5R,7R)-7-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propionoyl]amino}-5-(3-isopropoxyphenyl)-4-methyl-2-azabicyclo[3.3.1]nonane-2-carboxylate

Guidance literature:: 3-(3,4-dihydro-1H-isoquinolin-2-yl)propionic acid hydrochloride; tert-butyl (1R,4S,5R,7R)-7-amino-5-(3-isopropoxyphenyl)-4-methyl-2-azabicyclo[3.3.1]nonane-2-carboxylate; With triethylamine; In tetrahydrofuran; at 20 ℃; for 1.5h;

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; In tetrahydrofuran; at 20 ℃; for 1h;
DOI:10.1021/jm058264p

Reference yield:

: 881685-99-0
(1R,4S,5S,7R)-5-(3-isopropoxyphenyl)-2,4-dimethyl-2-azabicyclo[3.3.1]nonan-7-amine

: 881686-06-2
tert-butyl (1R,4S,5R,7R)-7-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propionoyl]amino}-5-(3-isopropoxyphenyl)-4-methyl-2-azabicyclo[3.3.1]nonane-2-carboxylate

Guidance literature:: Multi-step reaction with 5 steps

1.1: 62 percent / toluene / Heating

2.1: 1-chloroethyl chloroformate / CH₂Cl₂ / 3.5 h / Heating

2.2: methanol / Heating

3.1: 99 percent / Et₃N / CH₂Cl₂ / 1 h

4.1: 97 percent / hydrazine hydrate / ethanol / 1 h / Heating

5.1: Et₃N / tetrahydrofuran / 1.5 h / 20 °C

5.2: 85 percent / BOP / tetrahydrofuran / 1 h / 20 °C

With carbonochloridic acid 1-chloro-ethyl ester; hydrazine hydrate; triethylamine; In tetrahydrofuran; ethanol; dichloromethane; toluene;
DOI:10.1021/jm058264p

Reference yield:

: 881685-98-9
(1R,4S,5R)-5-(3-isopropoxyphenyl)-2,4-dimethyl-2-azabicyclo[3.3.1]nonan-7-one oxime

: 881686-06-2
tert-butyl (1R,4S,5R,7R)-7-{[3-(3,4-dihydroisoquinolin-2(1H)-yl)propionoyl]amino}-5-(3-isopropoxyphenyl)-4-methyl-2-azabicyclo[3.3.1]nonane-2-carboxylate

Guidance literature:: Multi-step reaction with 6 steps

1.1: 95 percent / Na; isopropanol / toluene / Heating

2.1: 62 percent / toluene / Heating

3.1: 1-chloroethyl chloroformate / CH₂Cl₂ / 3.5 h / Heating

3.2: methanol / Heating

4.1: 99 percent / Et₃N / CH₂Cl₂ / 1 h

5.1: 97 percent / hydrazine hydrate / ethanol / 1 h / Heating

6.1: Et₃N / tetrahydrofuran / 1.5 h / 20 °C

6.2: 85 percent / BOP / tetrahydrofuran / 1 h / 20 °C

With carbonochloridic acid 1-chloro-ethyl ester; sodium; hydrazine hydrate; triethylamine; isopropyl alcohol; In tetrahydrofuran; ethanol; dichloromethane; toluene;
DOI:10.1021/jm058264p