[4-(2,4-Dichlorophenyl)-6-dimethylcarbamoylmethyl-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-ylmethyl]carbamic acid tert-butyl ester

Base Information

• Chemical Name: [4-(2,4-Dichlorophenyl)-6-dimethylcarbamoylmethyl-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-ylmethyl]carbamic acid tert-butyl ester
• CAS No.: 915731-88-3
• Molecular Formula: C₂₄H₂₈Cl₂N₄O₄
• Molecular Weight: 507.417
• Mol file: 915731-88-3.mol

Synonyms:[4-(2,4-Dichlorophenyl)-6-dimethylcarbamoylmethyl-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-ylmethyl]carbamic acid tert-butyl ester;Carbamic acid, N-[[4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)-2-oxoethyl]-6,7-dihydro-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-,1,1-dimethylethyl ester;tert-butyl (4-(2,4-dichlorophenyl)-6-(2-(dimethylamino)-2-oxoethyl)-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methylcarbamate

Chemical Property of [4-(2,4-Dichlorophenyl)-6-dimethylcarbamoylmethyl-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-ylmethyl]carbamic acid tert-butyl ester

Chemical Property:

• Refractive Index: 1.582
• Boiling Point: 696.4 °C at 760 mmHg
• Flash Point: 375 °C
• PSA: 91.84000
• Density: 1.297g/cm³
• LogP: 4.76130

Purity/Quality:

98%min ^*data from raw suppliers

Carbamic acid,n-[[4-(2,4-dichlorophenyl)-6-[2-(dimethylamino)-2-oxoethyl]-6,7-dihydro-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-3-yl]methyl]-,1,1-dimethylethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of [4-(2,4-Dichlorophenyl)-6-dimethylcarbamoylmethyl-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-ylmethyl]carbamic acid tert-butyl ester

There total 17 articles about [4-(2,4-Dichlorophenyl)-6-dimethylcarbamoylmethyl-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-ylmethyl]carbamic acid tert-butyl ester 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:

(S)-2-(3-((tert-butoxycarbonylamino)methyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-acetic acid + dimethyl amine (124-40-3) → (S)-tert-butyl (4-(2,4-dichlorophenyl)-6-(2-(dimethylamino)-2-oxoethyl)-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methylcarbamate (915731-88-3)

Guidance literature:

With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; for 2.5h;

Reference yield:

6-(2-tert-butoxy-2-oxoethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxylic acid (915297-05-1) → (S)-tert-butyl (4-(2,4-dichlorophenyl)-6-(2-(dimethylamino)-2-oxoethyl)-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methylcarbamate (915731-88-3)

Guidance literature:

Multi-step reaction with 8 steps

1: triethylamine / tetrahydrofuran / Inert atmosphere

2: sodium tetrahydroborate / water; tetrahydrofuran / Inert atmosphere

3: triethylamine; methanesulfonyl chloride / dichloromethane / Inert atmosphere

4: ammonia / methanol / 50 °C / Inert atmosphere

5: Chiralpak AD 250 mm × 4.6 mm / isopropyl alcohol / 35 °C / Supercritical conditions; Resolution of racemate; Inert atmosphere

6: trifluoroacetic acid / dichloromethane / 3 h / 20 °C / Inert atmosphere

7: sodium hydrogencarbonate / water; tetrahydrofuran / 2.5 h / 20 °C / Inert atmosphere

8: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2.5 h / 20 °C / Inert atmosphere

With sodium tetrahydroborate; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; ammonia; sodium hydrogencarbonate; methanesulfonyl chloride; triethylamine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; dichloromethane; water; isopropyl alcohol;

DOI:10.1021/jm4008906

Reference yield:

2,4-dichlorobenzaldeyhde (874-42-0) → (S)-tert-butyl (4-(2,4-dichlorophenyl)-6-(2-(dimethylamino)-2-oxoethyl)-2-methyl-5-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)methylcarbamate (915731-88-3)

Guidance literature:

Multi-step reaction with 13 steps

1: benzylamine; acetic acid / isopropyl alcohol / 96 h / 20 °C / Inert atmosphere

2: isopropyl alcohol / 18 h / 20 °C / Inert atmosphere

3: acetic acid; nitric acid / water / 18 h / 20 °C / Inert atmosphere

4: ethanol / 150 °C / Microwave irradiation; Inert atmosphere

5: palladium 10% on activated carbon; hydrogen / ethyl acetate / 2 h / 20 °C / Inert atmosphere

6: triethylamine / tetrahydrofuran / Inert atmosphere

7: sodium tetrahydroborate / water; tetrahydrofuran / Inert atmosphere

8: triethylamine; methanesulfonyl chloride / dichloromethane / Inert atmosphere

9: ammonia / methanol / 50 °C / Inert atmosphere

10: Chiralpak AD 250 mm × 4.6 mm / isopropyl alcohol / 35 °C / Supercritical conditions; Resolution of racemate; Inert atmosphere

11: trifluoroacetic acid / dichloromethane / 3 h / 20 °C / Inert atmosphere

12: sodium hydrogencarbonate / water; tetrahydrofuran / 2.5 h / 20 °C / Inert atmosphere

13: benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2.5 h / 20 °C / Inert atmosphere

With sodium tetrahydroborate; palladium 10% on activated carbon; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; ammonia; hydrogen; nitric acid; sodium hydrogencarbonate; acetic acid; methanesulfonyl chloride; triethylamine; N-ethyl-N,N-diisopropylamine; benzylamine; trifluoroacetic acid; In tetrahydrofuran; methanol; ethanol; dichloromethane; water; ethyl acetate; isopropyl alcohol; 1: |Knoevenagel Condensation;

DOI:10.1021/jm4008906

upstream raw materials:

dimethyl amine

di-tert-butyl dicarbonate

tert-butyl 2-(3-(chlorocarbonyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)acetate

(Z)-ethyl 4-chloro-2-(2,4-dichlorobenzylidene)-3-oxobutanoate

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