[4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester

Base Information

• Chemical Name: [4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester
• CAS No.: 207737-26-6
• Molecular Formula: C₂₂H₃₂N₂O₄S
• Molecular Weight: 420.573
• Mol file: 207737-26-6.mol

Synonyms:[4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester

Chemical Property of [4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of [4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester

There total 3 articles about [4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic 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: 91.0%

di-tert-butyl dicarbonate (24424-99-5) + 5-tert-butyl-2-methyl-4-thiocyanatophenylamine (207737-25-5) → [4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester (207737-26-6)

Guidance literature:

In tetrahydrofuran; at 60 ℃; for 72h;

DOI:10.1021/jm990281p

Reference yield:

4-tert-butyl-2-nitrotoluene (62559-08-4) → [4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester (207737-26-6)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂ / Raney Ni / methanol / 15 h / 35 °C / 2689.24 Torr

2: Br₂; NaBr / methanol / 0.5 h

3: 91 percent / tetrahydrofuran / 72 h / 60 °C

With hydrogen; bromine; sodium bromide; nickel; In tetrahydrofuran; methanol; 1: Reduction / 2: Substitution / 3: Acylation;

DOI:10.1021/jm990281p

Reference yield:

5-tert-butyl-2-methylaniline (85336-17-0) → [4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester (207737-26-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂; NaBr / methanol / 0.5 h

2: 91 percent / tetrahydrofuran / 72 h / 60 °C

With bromine; sodium bromide; In tetrahydrofuran; methanol; 1: Substitution / 2: Acylation;

DOI:10.1021/jm990281p

upstream raw materials:

di-tert-butyl dicarbonate

5-tert-butyl-2-methyl-4-thiocyanatophenylamine

4-tert-butyl-2-nitrotoluene

5-tert-butyl-2-methylaniline

Downstream raw materials:

[5-(1,1-dimethylethyl)-4-mercapto-2-methylphenyl]imidodicarbonic acid bis(1,1-dimethylethyl) ester

[5-(1,1-dimethylethyl)-2-methyl-4-[[(4-methylphenyl)sulfonyl]thio]phenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester