IMidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, 5,6-dihydro-2-iodo-, Methyl ester

Base Information

• Chemical Name: IMidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, 5,6-dihydro-2-iodo-, Methyl ester
• CAS No.: 1282516-62-4
• Molecular Formula: C₁₃H₁₁IN₂O₃
• Molecular Weight: 370.146
• Hs Code.: 2934999090
• Mol file: 1282516-62-4.mol

Synonyms:IMidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, 5,6-dihydro-2-iodo-, Methyl ester;5,6-Dihydro-2-iodoImidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, methyl ester;Methyl 2-iodo-5,6-dihydrobenzo[f]iMidazo[1,2-d][1,4]oxazepine-9-carboxylate

Chemical Property of IMidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, 5,6-dihydro-2-iodo-, Methyl ester

Chemical Property:

• PSA: 53.35000
• LogP: 2.33370

Purity/Quality:

99%, ^*data from raw suppliers

5,6-Dihydro-2-iodoimidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, methyl ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of IMidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, 5,6-dihydro-2-iodo-, Methyl ester

There total 5 articles about IMidazo[1,2-d][1,4]benzoxazepine-9-carboxylic acid, 5,6-dihydro-2-iodo-, Methyl 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: 80.0%

methyl 2,3-diiodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-9-carboxylate (1282516-61-3) → methyl 2-iodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-9-carboxylate (1282516-62-4)

Guidance literature:

methyl 2,3-diiodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-9-carboxylate; With ethylmagnesium bromide; In tetrahydrofuran; diethyl ether; at -15 ℃; for 1h;

With ammonium chloride; In tetrahydrofuran; diethyl ether; water;

Reference yield:

methyl 4-formyl-3-hydroxybenzoate (24589-98-8) → methyl 2-iodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-9-carboxylate (1282516-62-4)

Guidance literature:

Multi-step reaction with 4 steps

1: ammonia / water; methanol / 2 h

2: caesium carbonate / N,N-dimethyl-formamide / 12 h / 90 °C

3: N-iodo-succinimide / N,N-dimethyl-formamide / 80 °C

4: ethylmagnesium bromide / diethyl ether; tetrahydrofuran / 1 h / -15 °C

With N-iodo-succinimide; ethylmagnesium bromide; ammonia; caesium carbonate; In tetrahydrofuran; methanol; diethyl ether; water; N,N-dimethyl-formamide;

Reference yield:

methyl 3-hydroxy-4-(1H-imidazol-2-yl)benzoate (1282516-54-4) → methyl 2-iodo-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-9-carboxylate (1282516-62-4)

Guidance literature:

Multi-step reaction with 3 steps

1: caesium carbonate / N,N-dimethyl-formamide / 12 h / 90 °C

2: N-iodo-succinimide / N,N-dimethyl-formamide / 80 °C

3: ethylmagnesium bromide / diethyl ether; tetrahydrofuran / 1 h / -15 °C

With N-iodo-succinimide; ethylmagnesium bromide; caesium carbonate; In tetrahydrofuran; diethyl ether; N,N-dimethyl-formamide;

upstream raw materials:

methyl 4-formyl-3-hydroxybenzoate

methyl 3-hydroxy-4-(1H-imidazol-2-yl)benzoate

methyl 5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-9-carboxylate

4-formyl-3-hydroxybenzoic acid

Refernces