1-N-BOC-Amino-4-bromo-2-cyano-1H-pyrrole

Base Information

• Chemical Name: 1-N-BOC-Amino-4-bromo-2-cyano-1H-pyrrole
• CAS No.: 937047-04-6
• Molecular Formula: C10H12BrN3O2
• Molecular Weight: 286.13
• Hs Code.: 2933990090
• Mol file: 937047-04-6.mol

Synonyms:1-N-BOC-AMINO-4-BROMO-2-CYANO-1H-PYRROLE;tert-Butyl (4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate;1,1-Dimethylethyl N-(4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate;CarbaMic acid, N-(4-broMo-2-cyano-1H-pyrrol-1-yl)-, 1,1-diMethylethyl ester

Chemical Property of 1-N-BOC-Amino-4-bromo-2-cyano-1H-pyrrole

Chemical Property:

• PSA: 70.54000
• LogP: 2.61448
• Storage Temp.: 2-8°C

Purity/Quality:

99.9% ^*data from raw suppliers

tert-Butyl(4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-N-BOC-Amino-4-bromo-2-cyano-1H-pyrrole

There total 4 articles about 1-N-BOC-Amino-4-bromo-2-cyano-1H-pyrrole 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: 98.0%

tert-butyl (2-cyano-1H-pyrrol-1-yl)carbamate (937046-96-3) → tert-butyl (4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate (937047-04-6)

Guidance literature:

With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione; In acetonitrile; at -30 - 20 ℃; for 2h;

Reference yield:

t-butoxycarbonylhydrazine (870-46-2) → tert-butyl (4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate (937047-04-6)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogenchloride / 1,4-dioxane / 90 °C

2: acetonitrile; N,N-dimethyl-formamide / 0 °C

3: N-Bromosuccinimide / N,N-dimethyl-formamide / -5 °C

With hydrogenchloride; N-Bromosuccinimide; In 1,4-dioxane; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1002/cmdc.201700718

Reference yield:

N-(1H-pyrrol-1-yl)-carbamic acid tert-butyl ester (937046-95-2) → tert-butyl (4-bromo-2-cyano-1H-pyrrol-1-yl)carbamate (937047-04-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile; N,N-dimethyl-formamide / 0 °C

2: N-Bromosuccinimide / N,N-dimethyl-formamide / -5 °C

With N-Bromosuccinimide; In N,N-dimethyl-formamide; acetonitrile;

DOI:10.1002/cmdc.201700718

upstream raw materials:

tert-butyl (2-cyano-1H-pyrrol-1-yl)carbamate

t-butoxycarbonylhydrazine

N-(1H-pyrrol-1-yl)-carbamic acid tert-butyl ester

N-tert-butyloxycarbonyl-pyrrole

Downstream raw materials:

1-amino-4-bromo-1H-pyrrole-2-carbonitrile hydrochloride

6-bromopyrrolo[2,1-f][1,2,4]triazine-2,4(1H,3H)-dione