tert-Butyl ((diphenylphosphoryl)methyl)sulfonylcarbamate

Base Information

• Chemical Name: tert-Butyl ((diphenylphosphoryl)methyl)sulfonylcarbamate
• CAS No.: 410529-86-1
• Molecular Formula: C18H22NO5PS
• Molecular Weight: 395.416
• Hs Code.: 2935009090
• DSSTox Substance ID: DTXSID30464595
• Nikkaji Number: J1.971.512D
• Mol file: 410529-86-1.mol

Synonyms:410529-86-1;tert-Butyl ((diphenylphosphoryl)methyl)sulfonylcarbamate;Tert-butyl N-(diphenylphosphorylmethylsulfonyl)carbamate;tert-Butyl((diphenylphosphoryl)methyl)sulfonylcarbamate;tert-Butyl ((diphenylphosphoryl)-methyl)sulfonylcarbamate;tert-butyl (((diphenylphosphoryl)methyl)sulfonyl)carbamate;tert-butyl {[(diphenylphosphoryl)methyl]sulfonyl}carbamate;C18H22NO5PS;UCMWADAMYQKLQA-UHFFFAOYSA-N;SCHEMBL12170335;DTXSID30464595;MFCD17676740;AKOS015899038;AS-70341;CS-0187649;FT-0757526;I10518;A873159;tert-butyl(diphenylphosphoryl)methylsulfonylcarbamate;tert-Butyl{[(diphenylphosphoryl)methyl]sulfonyl}carbamate;TERT-BUTYL N-(DIPHENYLPHOSPHOROSO)METHANESULFONYLCARBAMATE

Chemical Property of tert-Butyl ((diphenylphosphoryl)methyl)sulfonylcarbamate

Chemical Property:

• PSA: 107.73000
• LogP: 4.28420
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 395.09563097
• Heavy Atom Count: 26
• Complexity: 601

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl ((diphenylphosphoryl)-methyl)sulfonylcarbamate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NS(=O)(=O)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of tert-Butyl ((diphenylphosphoryl)methyl)sulfonylcarbamate

There total 2 articles about tert-Butyl ((diphenylphosphoryl)methyl)sulfonylcarbamate 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: 84.0%

tert-butyl (methylsulfonyl)carbamate (147751-16-4) + Diphenylphosphinic chloride (1499-21-4) → tert-butyl(((diphenylphosphoryl)methyl)sulfonyl)carbamate (410529-86-1)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -78 - 20 ℃; for 4h;

DOI:10.1016/j.bmcl.2020.127571

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → tert-butyl(((diphenylphosphoryl)methyl)sulfonyl)carbamate (410529-86-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: dmap; triethylamine / dichloromethane / 0 - 20 °C

2.1: diisopropylamine; n-butyllithium / tetrahydrofuran / 0.18 h / -78 - 0 °C

2.2: 1.5 h / -78 °C

With dmap; n-butyllithium; triethylamine; diisopropylamine; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.ejmech.2019.04.045

Reference yield: 98.0%

tert-butyl(((diphenylphosphoryl)methyl)sulfonyl)carbamate (410529-86-1) → (diphenylphosphoryl)methanesulfonamide

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 0 ℃; for 4h; Inert atmosphere;

upstream raw materials:

tert-butyl (methylsulfonyl)carbamate

Diphenylphosphinic chloride

di-tert-butyl dicarbonate

Downstream raw materials:

C₁₃H₁₆ClNO₄S

tert-butyl N-(E)-styrylsulfonylcarbamate

methyl (2S)-2-[5-({4-[(E)-2-(aminosulfonyl)vinyl]-1,3-dimethyl-1H-pyrazol-5-yl}oxy)-2,4-dichlorophenoxy]propionate

methyl (2S)-2-(5-{[4-((E)-2-{[(tert-butoxycarbonyl)amino]sulfonyl}vinyl)-1,3-dimethyl-1H-pyrazol-5-yl]oxy}-2,4-dichlorophenoxy)propionate

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