(+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ⁶,2,5-thiadiazolan-2-yl)benzene-1-carboxamide

Base Information

• Chemical Name: (+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ⁶,2,5-thiadiazolan-2-yl)benzene-1-carboxamide
• CAS No.: 259794-44-0
• Molecular Formula: C₂₃H₂₁N₃O₅S
• Molecular Weight: 451.503

Synonyms:(+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ⁶,2,5-thiadiazolan-2-yl)benzene-1-carboxamide

Chemical Property of (+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ⁶,2,5-thiadiazolan-2-yl)benzene-1-carboxamide

Chemical Property:

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Technology Process of (+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ⁶,2,5-thiadiazolan-2-yl)benzene-1-carboxamide

There total 6 articles about (+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ⁶,2,5-thiadiazolan-2-yl)benzene-1-carboxamide 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:

(+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ6,2,5-thiadiazolan-2-yl)benzoic acid → (+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ6,2,5-thiadiazolan-2-yl)benzene-1-carboxamide (259794-44-0)

Guidance literature:

(+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ⁶,2,5-thiadiazolan-2-yl)benzoic acid; With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; at 20 ℃; for 1h;

With ammonium hydroxide; In tetrahydrofuran; at 20 ℃; for 4h;

DOI:10.1002/(SICI)1522-2675(19991215)82:12<2432::AID-HLCA2432>3.0.CO;2-H

Reference yield:

4-sulfoamino-benzoic acid methyl ester (772337-11-8) → (+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ6,2,5-thiadiazolan-2-yl)benzene-1-carboxamide (259794-44-0)

Guidance literature:

Multi-step reaction with 5 steps

1.1: PCl₅ / CH₂Cl₂ / 3.5 h / Heating

2.1: 36 percent / Et₃N / CH₂Cl₂ / 2.5 h / 20 °C / pH 8 - 9

3.1: 83 percent / t-BuLi / pentane; tetrahydrofuran / 12 h / 20 °C

4.1: aq. KOH / methanol / 12 h / 20 °C

5.1: N'-[3-(dimethylamino)propyl]-N-ethylcarbodiimide; 1-hydroxy-1H-benzotriazole / tetrahydrofuran / 1 h / 20 °C

5.2: 300 mg / aq. NH₄OH / tetrahydrofuran / 4 h / 20 °C

With potassium hydroxide; phosphorus pentachloride; tert.-butyl lithium; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; In tetrahydrofuran; methanol; dichloromethane; pentane; 1.1: Substitution / 2.1: Condensation / 3.1: Cyclization / 4.1: Hydrolysis / 5.1: Addition / 5.2: Substitution;

DOI:10.1002/(SICI)1522-2675(19991215)82:12<2432::AID-HLCA2432>3.0.CO;2-H

Reference yield:

4-methoxycarbonyl aniline (619-45-4) → (+/-) 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ6,2,5-thiadiazolan-2-yl)benzene-1-carboxamide (259794-44-0)

Guidance literature:

Multi-step reaction with 6 steps

1.1: ClSO₃H / CH₂Cl₂ / 1 h / 20 °C

2.1: PCl₅ / CH₂Cl₂ / 3.5 h / Heating

3.1: 36 percent / Et₃N / CH₂Cl₂ / 2.5 h / 20 °C / pH 8 - 9

4.1: 83 percent / t-BuLi / pentane; tetrahydrofuran / 12 h / 20 °C

5.1: aq. KOH / methanol / 12 h / 20 °C

6.1: N'-[3-(dimethylamino)propyl]-N-ethylcarbodiimide; 1-hydroxy-1H-benzotriazole / tetrahydrofuran / 1 h / 20 °C

6.2: 300 mg / aq. NH₄OH / tetrahydrofuran / 4 h / 20 °C

With chlorosulfonic acid; potassium hydroxide; phosphorus pentachloride; tert.-butyl lithium; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine; In tetrahydrofuran; methanol; dichloromethane; pentane; 1.1: Condensation / 2.1: Substitution / 3.1: Condensation / 4.1: Cyclization / 5.1: Hydrolysis / 6.1: Addition / 6.2: Substitution;

DOI:10.1002/(SICI)1522-2675(19991215)82:12<2432::AID-HLCA2432>3.0.CO;2-H

upstream raw materials:

4-sulfoamino-benzoic acid methyl ester

4-methoxycarbonyl aniline

methyl 4-chlorosulfonylaminobenzoate

(+/-)-methyl 4-(4-{[4-(phenylmethoxy)phenyl]methyl}-1,1,3-trioxo-1λ⁶,2,5-thiadiazolan-2-yl)benzoate

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