(S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid

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Chemical Name:(S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid
CAS No.:1430112-93-8
Molecular Formula:C₃₁H₂₇ClFN₇O₅
Molecular Weight:632.051
Hs Code.:

Synonyms:(S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid

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Chemical Property of (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid

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Technology Process of (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid

There total 12 articles about (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid 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: 86.0%

: tert-butyl (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoate

: 1430112-93-8
(S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; for 3h;
DOI:10.1021/acs.jmedchem.7b01171

Reference yield:

: (x)C₂HF₃O₂*C₃₁H₂₇ClFN₇O₅

: 1430112-92-7
C₃₁H₂₇ClFN₇O₅

: 1430112-93-8
(S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid

Guidance literature:: With carbon dioxide; In ethanol; diethylamine; isopropyl alcohol; at 35 ℃; under 75007.5 Torr; Resolution of racemate;

Reference yield:

: 367-22-6
4-chloro-3-fluoroaniline

: 1430112-93-8
(S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-morpholino-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid

Guidance literature:: Multi-step reaction with 8 steps

1.1: sodium carbonate / diethyl ether / 1 h / -10 °C

2.1: tert.-butyl lithium; N,N,N,N,-tetramethylethylenediamine / tetrahydrofuran; pentane / 1 h / -78 °C

2.2: 1.5 h

3.1: 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate; potassium carbonate / N,N-dimethyl-formamide / 110 °C

4.1: sodium hydroxide / ethanol; water / 1 h / 80 °C

4.2: 0 °C / pH 6 - 7

5.1: acetic acid; sodium azide / 4 h / 75 °C

6.1: methanol / 72 h / 55 °C / Sealed tube

7.1: Chiralpak AD-H / ethanol; isopropyl alcohol; diethylamine / Resolution of racemate

8.1: trifluoroacetic acid / dichloromethane / 3 h

With 1,4-diaza-bicyclo[2.2.2]octane; sodium azide; N,N,N,N,-tetramethylethylenediamine; tert.-butyl lithium; palladium diacetate; sodium carbonate; potassium carbonate; acetic acid; trifluoroacetic acid; sodium hydroxide; In tetrahydrofuran; methanol; diethyl ether; ethanol; dichloromethane; water; diethylamine; N,N-dimethyl-formamide; isopropyl alcohol; pentane; 6.1: |Ugi Condensation;
DOI:10.1021/acs.jmedchem.7b01171