tert-butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Base Information

• Chemical Name: tert-butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate
• CAS No.: 740842-73-3
• Molecular Formula: C14H18BrNO3
• Molecular Weight: 328.206
• Hs Code.: 2934999090
• Mol file: 740842-73-3.mol

Synonyms:tert-butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate;1,4-benzoxazepine-4(5H)-carboxylic acid, 7-bromo-2,3-dihydro-, 1,1-dimethylethyl ester;1,4-benzoxazepine-4(5H)-carboxylic acid, 7-bromo-2,3-dihyd;tert-butyl 7-bromo-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate;1,1-Dimethylethyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Chemical Property of tert-butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

Chemical Property:

• PSA: 38.77000
• LogP: 3.51650

Purity/Quality:

97% ^*data from raw suppliers

N-BOC-7-bromo-2,3-dihydrobenzo[f][1,4]oxazepine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of tert-butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

There total 18 articles about tert-butyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-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: 93.0%

tert-butyl N-(5-bromo-2-hydroxybenzyl)-N-(2-hydroxyethyl)carbamate (1217862-54-8) → 1,1-dimethylethyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate (740842-73-3)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; at 0 - 20 ℃; for 0.5h;

DOI:10.1021/jm3007933

Reference yield: 90.0%

7-bromo-2,3,4,5-tetrahydrobenzo[f ][1,4]oxazepine hydrochloride (740842-72-2) + di-tert-butyl dicarbonate (24424-99-5) → 1,1-dimethylethyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate (740842-73-3)

Guidance literature:

With potassium carbonate; In ethanol; water; at 30 ℃; Large scale;

DOI:10.1021/acs.oprd.5b00037

Reference yield: 89.0%

7-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine (740842-71-1) + di-tert-butyl dicarbonate (24424-99-5) → 1,1-dimethylethyl 7-bromo-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate (740842-73-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 4h;

DOI:10.1021/jm5010336

upstream raw materials:

7-bromo-2,3,4,5-tetrahydrobenzo[f ][1,4]oxazepine hydrochloride

di-tert-butyl dicarbonate

7-bromo-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepine

tert-butyl N-(5-bromo-2-hydroxybenzyl)-N-(2-hydroxyethyl)carbamate

Downstream raw materials:

tert-butyl 7-phenyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

tert-butyl 7-(o-tolyl)-2,3-dihydrobenzo[f][1,4]oxazepine-4(5H)-carboxylate

1,1-dimethylethyl 7-{4-[(methyloxy)carbonyl]phenyl}-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate

1,1-dimethylethyl 7-[3,4-bis(methyloxy)phenyl]-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxylate