4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt

Base Information

Chemical Name:4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt
CAS No.:1338586-40-5
Molecular Formula:C₃₆H₄₄N₄O₇S₄*H₃N
Molecular Weight:790.062
Hs Code.:

4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt

Synonyms:4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt

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Chemical Property of 4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt

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Technology Process of 4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt

There total 10 articles about 4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt 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: 61.0%

: 1335107-43-1
(2,2,5-trimethyl-1,3-dioxan-5-yl)methyl 4-(3-(4-cyanophenyl)-5-(4-(3,3,13,13-tetramethyl-2,4,12,14-tetraoxa-8,17,23-trithia-20-azadispiro[5.3.5.9]tetracosan-20-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonate

: 1338586-40-5
4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt

Guidance literature:: (2,2,5-trimethyl-1,3-dioxan-5-yl)methyl 4-(3-(4-cyanophenyl)-5-(4-(3,3,13,13-tetramethyl-2,4,12,14-tetraoxa-8,17,23-trithia-20-azadispiro[5.3.5.9]tetracosan-20-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonate; With water; trifluoroacetic acid; at 20 ℃; for 0.4h;

With ammonia; In water; at 0 ℃; for 0.5h;

With potassium tert-butylate; In tetrahydrofuran; dimethyl sulfoxide; tert-butyl alcohol; at 20 ℃; for 0.333333h; Inert atmosphere;
DOI:10.1021/ja207004v

Reference yield:

: 1335107-23-7
bis((5-((benzylthio)methyl)-2,2-dimethyl-1,3-dioxan-5-yl)methyl)sulfane

: 1338586-40-5
4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt

Guidance literature:: Multi-step reaction with 4 steps

1.1: caesium carbonate / N,N-dimethyl-formamide / 24 h / 85 °C

2.1: pyrrolidine / ethanol; benzene / 48 h / 50 °C

3.1: pyridine; pyridinium p-toluenesulfonate / 6 h / 90 °C / Inert atmosphere; Sealed tube

4.1: water; trifluoroacetic acid / 0.4 h / 20 °C

4.2: 0.5 h / 0 °C

4.3: 0.33 h / 20 °C / Inert atmosphere

With pyrrolidine; pyridine; water; pyridinium p-toluenesulfonate; caesium carbonate; trifluoroacetic acid; In ethanol; N,N-dimethyl-formamide; benzene;
DOI:10.1021/ja207004v

Reference yield:

: 120-07-0
2,2'-(phenylimino)bis[ethanol]

: 1338586-40-5
4-(3-(4-cyanophenyl)-5-(4-(9,9,13,13-tetrakis(hydroxymethyl)-1,7,11-trithia-4-azacyclotetradecan-4-yl)phenyl)-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid ammonium salt

Guidance literature:: Multi-step reaction with 6 steps

1.1: trichlorophosphate / N,N-dimethyl-formamide / 4 h / 90 °C / Cooling

2.1: sodium iodide / butanone / 24 h / 65 °C

3.1: caesium carbonate / water; N,N-dimethyl-formamide / 24 h / 85 °C

4.1: pyrrolidine / ethanol; benzene / 48 h / 50 °C

5.1: pyridine; pyridinium p-toluenesulfonate / 6 h / 90 °C / Inert atmosphere; Sealed tube

6.1: water; trifluoroacetic acid / 0.4 h / 20 °C

6.2: 0.5 h / 0 °C

6.3: 0.33 h / 20 °C / Inert atmosphere

With pyrrolidine; pyridine; water; pyridinium p-toluenesulfonate; caesium carbonate; trifluoroacetic acid; sodium iodide; trichlorophosphate; In ethanol; water; N,N-dimethyl-formamide; butanone; benzene;
DOI:10.1021/ja207004v