dimethylsulfamic acid 5-tert-butyl-2-methyl-4-thiocyanatophenyl ester

Base Information

• Chemical Name: dimethylsulfamic acid 5-tert-butyl-2-methyl-4-thiocyanatophenyl ester
• CAS No.: 207737-18-6
• Molecular Formula: C₁₄H₂₀N₂O₃S₂
• Molecular Weight: 328.456
• Mol file: 207737-18-6.mol

Synonyms:dimethylsulfamic acid 5-tert-butyl-2-methyl-4-thiocyanatophenyl ester

Chemical Property of dimethylsulfamic acid 5-tert-butyl-2-methyl-4-thiocyanatophenyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of dimethylsulfamic acid 5-tert-butyl-2-methyl-4-thiocyanatophenyl ester

There total 4 articles about dimethylsulfamic acid 5-tert-butyl-2-methyl-4-thiocyanatophenyl 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: 49.0%

dimethylamino sulfonyl chloride (13360-57-1) + 5-tert-butyl-2-methyl-4-thiocyanatophenol (207737-07-3) → dimethylsulfamic acid 5-tert-butyl-2-methyl-4-thiocyanatophenyl ester (207737-18-6)

Guidance literature:

With caesium carbonate; In acetonitrile; Heating;

DOI:10.1021/jm990281p

Reference yield:

4-tert-butyl-2-nitrotoluene (62559-08-4) → dimethylsulfamic acid 5-tert-butyl-2-methyl-4-thiocyanatophenyl ester (207737-18-6)

Guidance literature:

Multi-step reaction with 4 steps

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

2: aq. NaNO₂; aq. 15percent H₂SO₄ / 0.5 h / 70 °C

3: Br₂; NaBr / methanol / 0.5 h / 5 - 40 °C

4: 49 percent / Cs₂CO₃ / acetonitrile / Heating

With hydrogen; bromine; caesium carbonate; sodium bromide; sodium nitrite; nickel; In methanol; acetonitrile; 1: Reduction / 2: Diazotization / 3: Substitution / 4: Sulfonylation;

DOI:10.1021/jm990281p

Reference yield:

5-(tert-butyl)-2-methylphenol (5781-02-2) → dimethylsulfamic acid 5-tert-butyl-2-methyl-4-thiocyanatophenyl ester (207737-18-6)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂; NaBr / methanol / 0.5 h / 5 - 40 °C

2: 49 percent / Cs₂CO₃ / acetonitrile / Heating

With bromine; caesium carbonate; sodium bromide; In methanol; acetonitrile; 1: Substitution / 2: Sulfonylation;

DOI:10.1021/jm990281p

upstream raw materials:

dimethylamino sulfonyl chloride

5-tert-butyl-2-methyl-4-thiocyanatophenol

5-(tert-butyl)-2-methylphenol

4-tert-butyl-2-nitrotoluene

Downstream raw materials:

dimethylsulfamic acid 5-tert-butyl-4-mercapto-2-methylphenyl ester

dimethylsulfamic acid 4-{6-[2-(4-aminophenyl)ethyl]-4-hydroxy-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-5-tert-butyl-2-methylphenyl ester hydrochloride

toluene-4-thiosulfonic acid S-(2-tert-butyl-4-dimethylsulfamoyloxy-5-methyl-phenyl) ester

dimethyl-sulfamic acid 5-tert-butyl-4-{4-hydroxy-6-[2-(4-hydroxy-phenyl)-ethyl]-6-isopropyl-2-oxo-5,6-dihydro-2H-pyran-3-ylsulfanyl}-2-methyl-phenyl ester