Unii-97F7ble97S

Base Information

• Chemical Name: Unii-97F7ble97S
• CAS No.: 941-55-9
• Deprecated CAS: 67842-69-7,1647111-45-2
• Molecular Formula: C7H7N3O2S
• Molecular Weight: 197.217
• Hs Code.: 29299090
• Mol file: 941-55-9.mol

Synonyms:UNII-97F7BLE97S;97F7BLE97S;EINECS 213-381-5;NSC 138649

Chemical Property of Unii-97F7ble97S

Chemical Property:

• Appearance/Colour: white crystal
• Melting Point: 22 °C
• Refractive Index: n20/D 1.548
• Flash Point: 4℃
• PSA: 92.27000
• Density: ~0.90 g/mL at 20 °C
• LogP: 2.52756
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 197.02589765
• Heavy Atom Count: 13
• Complexity: 305

Purity/Quality:

99% ^*data from raw suppliers

Tosyl azide, 30% w/w in toluene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F,T+
• Statements: 5-67-65-48/20-38-28-11-63
• Safety Statements: 16-35-45-36/37-28-9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
• Description: Tosyl azide is a reagent used in organic synthesis. It is prepared by the reaction of tosyl chloride with sodium azide in aqueous acetone.
• Uses: Used for the introduction of azide and diazo functional groups. It is also used as a nitrene source and as a substrate for [3+2] cycloaddition reactions. 4-Methylbenzenesulfonyl Azide can be used to target Bcl-2 family proteins to potentially treat cancer. p-Toluenesulfonyl azide solution can be employed as a reagent along with alkyne, and amine in the three-component coupling reaction for the synthesis of N-sulfonylamidines in presence of copper catalyst.It can also be used in the synthesis of N-sulfonyl-1,2,3-triazoles by azide-alkyne cycloaddition reaction in the presence of copper catalyst.

Technology Process of Unii-97F7ble97S

There total 19 articles about Unii-97F7ble97S 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%

p-toluenesulfonyl chloride (98-59-9) → 4-toluenesulfonyl azide (941-55-9)

Guidance literature:

With Caswell No_. 744A; In water monomer; isopropanol; at 20 ℃; for 1h;

DOI:10.1002/chem.200802337

Reference yield: 98.0%

p-toluenesulfonyl fluoride (455-16-3) → 4-toluenesulfonyl azide (941-55-9)

Guidance literature:

With trimethylsilylazide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 50 ℃; for 1.5h;

DOI:10.1055/s-0035-1561626

Reference yield: 97.0%

toluene-4-sulfonic acid (104-15-4) → 4-toluenesulfonyl azide (941-55-9)

Guidance literature:

toluene-4-sulfonic acid; With trichloroisocyanuric acid; triphenylphosphine; In tetrahydrofuran; at 0 - 5 ℃; for 0.25h;

With sodium azide; In tetrahydrofuran; at 5 - 20 ℃; for 0.0166667h; Solvent;

DOI:10.1080/17415993.2013.801476

upstream raw materials:

p-toluenesulfonyl chloride

dimethyl N-tosylketenimine

N-[1-Chloro-2-methyl-prop-(Z)-ylidene]-4-methyl-benzenesulfonamide

toluene-4-sulfonic acid hydrazide

Downstream raw materials:

N-(p-toluenesulphonylimino)pyridinium ylide

1-(4-methylbenzenesulfonyl)-5-phenyl-1,2,3-triazole

toluene-4-sulfonamide

N-[4-(4-nitro-phenyl)-3,5-dioxa-1λ⁵-phospha-bicyclo[2.2.1]hept-1-ylidene]-toluene-4-sulfonamide

Refernces

• 1、 Baumann, Wolfgang,Michalik, Dirk,Reiss, Fabian,Schulz, Axel,Villinger, Alexander. "Isolation of a labile homoleptic diazenium cation". . p. 3250 - 3253. Retrieved 2014.
• 2、 Górski, Krzysztof,Mech-Piskorz, Justyna,Le?niewska, Barbara,Pietraszkiewicz, Oksana,Pietraszkiewicz, Marek. "Synthesis and Reactivity of 5-Heterotruxenes Containing Sulfur or Nitrogen as the Heteroatom". . p. 11553 - 11561. Retrieved 2019.
• 3、 Ziegler, Frederick,Petersen, Anders K.. "Tandem Fragmentation of Cyclopropylcarbinyl/Oxiranylcarbinyl Radicals. On the Reversibility of Oxiranylcarbinyl/Allyloxyl Radical Formation". . p. 2707 - 2714. Retrieved 1994.
• 4、 Franz, Annaliese K.,Jagannathan, Jake R.,Targos, Karina. "Synthesis of Functionalized Silsesquioxane Nanomaterials by Rhodium-Catalyzed Carbene Insertion into Si?H Bonds". supporting information. . Retrieved 2021/11/27.
• 5、 Kl?pfer, Viktor,Eckl, Robert,Flo?, Johannes,Roth, Philippe M. C.,Reiser, Oliver,Barham, Joshua P.. "Catalyst-free, scalable heterocyclic flow photocyclopropanation". supporting information. p. 6366 - 6372. Retrieved 2021/09/10.