Azidomethyl phenyl sulfide

Base Information

• Chemical Name: Azidomethyl phenyl sulfide
• CAS No.: 77422-70-9
• Molecular Formula: C7H7 N3 S
• Molecular Weight: 165.219
• European Community (EC) Number: 672-762-8
• ChEMBL ID: CHEMBL3236189
• DSSTox Substance ID: DTXSID40472767
• Nikkaji Number: J364.631I
• Mol file: 77422-70-9.mol

Synonyms:Azidomethyl phenyl sulfide;77422-70-9;Phenylthiomethyl azide;Azidomethylsulfanylbenzene;(azidomethyl)(phenyl)sulfane;[(Azidomethyl)thio]benzene;[(azidomethyl)sulfanyl]benzene;CHEMBL3236189;SCHEMBL13461656;DTXSID40472767;KIQGRMGPIMCXSC-UHFFFAOYSA-N;AKOS015916262;FT-0641646

Chemical Property of Azidomethyl phenyl sulfide

Chemical Property:

• Refractive Index: n20/D 1.5904(lit.)
• Boiling Point: 104-105oC 5 mm Hg(lit.)
• Flash Point: 226 °F
• PSA: 75.05000
• Density: 1.168 g/mL at 25oC(lit.)
• LogP: 2.49926
• Storage Temp.: Refrigerator
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 165.03606841
• Heavy Atom Count: 11
• Complexity: 148

Purity/Quality:

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

Azidomethyl phenyl sulfide 95% ^*data from reagent suppliers

Safty Information:

• Statements: 44
• Safety Statements: 36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCN=[N+]=[N-]

Technology Process of Azidomethyl phenyl sulfide

There total 4 articles about Azidomethyl phenyl sulfide 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: 98.0%

bromomethyl phenyl thioether (35572-08-8) → azidomethyl phenyl sulphide (77422-70-9)

Guidance literature:

With sodium azide; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1016/j.bmc.2009.12.057

Reference yield: 95.0%

phenylthiomethyl chloride (7205-91-6) → azidomethyl phenyl sulphide (77422-70-9)

Guidance literature:

With sodium azide; 15-crown-5; In acetonitrile; for 48h; Inert atmosphere;

DOI:10.1002/anie.200800123

Reference yield: 79.0%

racemic methyl phenyl sulfoxide (1193-82-4) → methyl-phenyl-thioether (100-68-5) + azidomethyl phenyl sulphide (77422-70-9)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; bis(p-nitrophenyl) azidophosphonate; In toluene; at 110 ℃; for 2h; Reagent/catalyst; Solvent; Temperature; Time;

DOI:10.1016/j.tetlet.2017.08.065

upstream raw materials:

phenylthiomethyl chloride

methyl-phenyl-thioether

bromomethyl phenyl thioether

racemic methyl phenyl sulfoxide

Downstream raw materials:

5,5-Dimethyl-3-phenylsulfanylmethyl-3,5-dihydro-[1,2,3]triazol-4-one

C₁₄H₁₅N₃OS

diphenyl (4‐aminophenyl) phosphine

5-(2-Fluorophenyl)-3-phenylsulfanylmethyl-3H-[1,2,3]triazolo-4-ylamine