N-Boc-7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine

Base Information

• Chemical Name: N-Boc-7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine
• CAS No.: 1220039-59-7
• Molecular Formula: C13H16BrNO3
• Molecular Weight: 314.17
• Mol file: 1220039-59-7.mol

Synonyms:N-Boc-7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine;tert-Butyl 7-bromo-2H-benzo[b][1,4]oxazine-4(3H)-carboxylate;7-Bromo-2,3-dihydro-benzo[1,4]oxazine-4-carboxylic acid tert-butyl ester

Chemical Property of N-Boc-7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine

Chemical Property:

• Boiling Point: 378.9±42.0 °C(Predicted)
• PKA: 0.28±0.20(Predicted)
• PSA: 38.77000
• Density: 1.416±0.06 g/cm3(Predicted)
• LogP: 3.64800
• Storage Temp.: 2-8°C

Purity/Quality:

98% ^*data from raw suppliers

tert-Butyl7-Bromo-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of N-Boc-7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine

There total 2 articles about N-Boc-7-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine 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: 50.0%

7-bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine (105679-22-9) + di-tert-butyl dicarbonate (24424-99-5) → tert-butyl 7-bromo-3,4-dihydro-2H-1,4-benzoxazine-4-carboxylate (1220039-59-7)

Guidance literature:

With pyridine; dmap; at 90 ℃; for 16h;

Reference yield:

→ tert-butyl 7-bromo-3,4-dihydro-2H-1,4-benzoxazine-4-carboxylate (1220039-59-7)

Guidance literature:

Reference yield:

tert-butyl 7-bromo-3,4-dihydro-2H-1,4-benzoxazine-4-carboxylate (1220039-59-7) → C22H25ClN2O4

Guidance literature:

Multi-step reaction with 7 steps

1.1: tetrakis(triphenylphosphine) palladium⁽⁰⁾ / toluene / 12 h / 115 °C / Inert atmosphere

2.1: potassium fluoride; water / toluene / 2 h / 20 °C / Inert atmosphere

3.1: ammonium acetate / methanol / 1 h / Inert atmosphere

3.2: 12 h / 65 °C / Inert atmosphere

4.1: triethylamine / dichloromethane / 5 h / 0 - 20 °C / Inert atmosphere

5.1: ammonium hydroxide / ethanol; water; carbon dioxide / 38 °C / Resolution of racemate; liquid CO₂

6.1: palladium 10% on activated carbon; hydrogen / methanol; tetrahydrofuran / 12 h / 20 °C / 775.74 Torr

7.1: N-ethyl-N,N-diisopropylamine / dichloromethane / 3 h / 0 - 23 °C / Inert atmosphere

With potassium fluoride; ammonium hydroxide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; palladium 10% on activated carbon; ammonium acetate; water; hydrogen; triethylamine; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; methanol; ethanol; dichloromethane; carbon dioxide; water; toluene; 1.1: |Stille Cross Coupling;

DOI:10.1021/acsmedchemlett.0c00525

upstream raw materials:

7-bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine

di-tert-butyl dicarbonate

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