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

Base Information

• Chemical Name: [5-(1,1-dimethylethyl)-4-mercapto-2-methylphenyl]imidodicarbonic acid bis(1,1-dimethylethyl) ester
• CAS No.: 207737-27-7
• Molecular Formula: C₂₁H₃₃NO₄S
• Molecular Weight: 395.563
• Mol file: 207737-27-7.mol

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

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

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

There total 4 articles about [5-(1,1-dimethylethyl)-4-mercapto-2-methylphenyl]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: 100.0%

[4-(cyanothio)-5-(1,1-dimethoxyethyl)-2-methylphenyl]imidocarbonic acid bis(1,1-dimethylethyl) ester (207737-26-6) → [5-(1,1-dimethylethyl)-4-mercapto-2-methylphenyl]imidodicarbonic acid bis(1,1-dimethylethyl) ester (207737-27-7)

Guidance literature:

With potassium dihydrogenphosphate; diothiothreitol; In ethanol; at 50 ℃;

DOI:10.1021/jm990281p

Reference yield:

4-tert-butyl-2-nitrotoluene (62559-08-4) → [5-(1,1-dimethylethyl)-4-mercapto-2-methylphenyl]imidodicarbonic acid bis(1,1-dimethylethyl) ester (207737-27-7)

Guidance literature:

Multi-step reaction with 4 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

4: 100 percent / dithiothreitol; KH₂PO₄ / ethanol / 50 °C

With potassium dihydrogenphosphate; hydrogen; bromine; sodium bromide; diothiothreitol; nickel; In tetrahydrofuran; methanol; ethanol; 1: Reduction / 2: Substitution / 3: Acylation / 4: Hydrolysis;

DOI:10.1021/jm990281p

Reference yield:

5-tert-butyl-2-methylaniline (85336-17-0) → [5-(1,1-dimethylethyl)-4-mercapto-2-methylphenyl]imidodicarbonic acid bis(1,1-dimethylethyl) ester (207737-27-7)

Guidance literature:

Multi-step reaction with 3 steps

1: Br₂; NaBr / methanol / 0.5 h

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

3: 100 percent / dithiothreitol; KH₂PO₄ / ethanol / 50 °C

With potassium dihydrogenphosphate; bromine; sodium bromide; diothiothreitol; In tetrahydrofuran; methanol; ethanol; 1: Substitution / 2: Acylation / 3: Hydrolysis;

DOI:10.1021/jm990281p

upstream raw materials:

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

4-tert-butyl-2-nitrotoluene

5-tert-butyl-2-methylaniline

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

Downstream raw materials:

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