N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester

Base Information

• Chemical Name: N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester
• CAS No.: 1425822-14-5
• Molecular Formula: C₁₇H₂₁BrN₂O₄
• Molecular Weight: 397.269
• Mol file: 1425822-14-5.mol

Synonyms:N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester

Chemical Property of N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester

There total 3 articles about N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) 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: 6.0%

4-amino-2-bromobenzonitrile (53312-82-6) + di-tert-butyl dicarbonate (24424-99-5) → N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester (1425822-14-5)

Guidance literature:

With dmap; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 0 ℃; for 2h; Reflux;

DOI:10.1016/j.bmc.2012.11.042

Reference yield:

2-bromo-4-fluorobenzonitrile (36282-26-5) → N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester (1425822-14-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 5 h / 140 °C

2: 2,3-dicyano-5,6-dichloro-p-benzoquinone / water; dichloromethane / 3.5 h / 20 °C

3: dmap; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Reflux

With dmap; N-ethyl-N,N-diisopropylamine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; dichloromethane; water;

DOI:10.1016/j.bmc.2012.11.042

Reference yield:

2-bromo-4-(4-methoxybenzylamino)benzonitrile (1220099-39-7) → N-(3-bromo-4-cyanophenyl)imidodicarbonic acid bis(1,1-dimethylethyl) ester (1425822-14-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 2,3-dicyano-5,6-dichloro-p-benzoquinone / water; dichloromethane / 3.5 h / 20 °C

2: dmap; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Reflux

With dmap; N-ethyl-N,N-diisopropylamine; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In tetrahydrofuran; dichloromethane; water;

DOI:10.1016/j.bmc.2012.11.042

upstream raw materials:

4-amino-2-bromobenzonitrile

di-tert-butyl dicarbonate

2-bromo-4-fluorobenzonitrile

2-bromo-4-(4-methoxybenzylamino)benzonitrile

Downstream raw materials:

C₂₄H₃₃N₃O

C₂₇H₃₇N₃O₃

C₂₅H₃₃N₃O₃

(S)-ethyl 4-[8-amino-1,2,4,5-tetrahydro-2-(2-methylpropyl)-4-(3-methylbutyl)-3-oxo-3H-1,4-benzodiazepin-7-yl]-3-[2-(benzyloxy)ethoxy]benzoate