tert-butyl 9-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate

Base Information

• Chemical Name: tert-butyl 9-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate
• CAS No.: 1055880-27-7
• Molecular Formula: C14H18BrNO3
• Molecular Weight: 328.206
• Hs Code.: 2934999090
• Mol file: 1055880-27-7.mol

Synonyms:tert-butyl 9-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate

Chemical Property of tert-butyl 9-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate

Chemical Property:

• PSA: 38.77000
• LogP: 3.51650

Purity/Quality:

98%min ^*data from raw suppliers

tert-Butyl 9-bromo-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxylate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 9-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate

There total 6 articles about tert-butyl 9-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate 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: 60.0%

1,1-dimethylethyl [(3-bromo-2-hydroxyphenyl)methyl](2-hydroxyethyl)carbamate (1167416-81-0) → 1,1-dimethylethyl 9-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate (1055880-27-7)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere; Cooling with ice;

DOI:10.1021/jm200609t

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + C9H10BrNO*ClH → 1,1-dimethylethyl 9-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate (1055880-27-7)

Guidance literature:

With sodium hydroxide; In 1,4-dioxane; water; at 10 - 30 ℃; Cooling with ice;

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) + 2-hydroxy-3-bromobenzaldehyde (1829-34-1) + ethanolamine (141-43-5) → 1,1-dimethylethyl 9-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate (1055880-27-7)

Guidance literature:

2-hydroxy-3-bromobenzaldehyde; ethanolamine; In ethanol; for 1h;

With sodium tetrahydroborate; In ethanol; for 2h; Heating / reflux;

di-tert-butyl dicarbonate; With hydrogenchloride; sodium hydroxide; di-isopropyl azodicarboxylate; triethylamine; triphenylphosphine; more than 3 stages;

upstream raw materials:

di-tert-butyl dicarbonate

2-hydroxy-3-bromobenzaldehyde

ethanolamine

1,1-dimethylethyl [(3-bromo-2-hydroxyphenyl)methyl](2-hydroxyethyl)carbamate

Downstream raw materials:

1,1-dimethylethyl 9-(5-{3-cyano-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

2-[(1-methylethyl)oxy]-5-[3-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)-1,2,4-oxadiazol-5-yl]benzonitrile trifluoroacetate

5-{3-[4-(2,2-dimethyl-1,3-dioxan-5-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl]-1,2,4-oxadiazol-5-yl}-2-[(1-methylethyl)oxy]benzonitrile

5-(3-{4-[2-hydroxy-1-(hydroxymethyl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl}-1,2,4-oxadiazol-5-yl)-2-[(1-methylethyl)oxy]benzonitrile

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