Triphenylmethyl thiocyanate

Base Information

• Chemical Name: Triphenylmethyl thiocyanate
• CAS No.: 35036-90-9
• Molecular Formula: C₂₀H₁₅NS
• Molecular Weight: 301.412
• European Community (EC) Number: 660-043-1
• DSSTox Substance ID: DTXSID201034553
• Nikkaji Number: J3.638.837D
• Mol file: 35036-90-9.mol

Synonyms:35036-90-9;(Thiocyanatomethanetriyl)tribenzene;trityl thiocyanate;triphenylmethyl thiocyanate;trityl-thiocyanate;starbld0033613;Thiocyanic acid trityl ester;SCHEMBL3413804;DTXSID201034553;Thiocyanic acid, triphenylmethyl ester;AKOS024338520;J3.638.837D

Chemical Property of Triphenylmethyl thiocyanate

Chemical Property:

• Melting Point: 137 °C
• Boiling Point: 420.4±14.0 °C(Predicted)
• Density: 1.174±0.06 g/cm3(Predicted)
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 301.09252066
• Heavy Atom Count: 22
• Complexity: 332

Purity/Quality:

98%,99%, ^*data from raw suppliers

TRIPHENYLMETHYL THIOCYANATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC#N

Technology Process of Triphenylmethyl thiocyanate

There total 4 articles about Triphenylmethyl thiocyanate 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: 72.0%

triphenylmethyl alcohol (76-84-6) + N-methyl-2-thiocyanatopyridinium iodide → trityl thiocyanate (35036-90-9)

Guidance literature:

at 90 ℃; for 0.0833333h; Neat (no solvent); Grinding;

DOI:10.1016/j.tetlet.2011.11.050

Reference yield:

silver thiocyanate (1701-93-5) + trityl chloride (76-83-5) → trityl thiocyanate (35036-90-9)

Guidance literature:

In chlorobenzene; at 0 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.orglett.0c03529

Reference yield:

bromo-triphenyl-methane (596-43-0) + potassium thioacyanate (333-20-0) → trityl thiocyanate (35036-90-9)

Guidance literature:

With hemin copolymer 1; Yield given. Multistep reaction; 1.) water, 12 h, 2.) benzene, 10 h, 80 deg C;

DOI:10.1246/bcsj.62.2562

upstream raw materials:

triphenylmethyl alcohol

diethyl ether

thiocyanic acid

bromo-triphenyl-methane

Downstream raw materials:

trityl thioacetic acid

S-trityl benzothioate