(5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid isopropyl ester

Base Information

• Chemical Name: (5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid isopropyl ester
• CAS No.: 5807-40-9
• Molecular Formula: C14H16N2O3S
• Molecular Weight: 292.3534
• DSSTox Substance ID: DTXSID20354719
• Wikidata: Q82133073
• Mol file: 5807-40-9.mol

Synonyms:5807-40-9;(5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid isopropyl ester;CBMicro_006662;(2-Pyridinyloxy)aceticacid;DTXSID20354719;HMS1609B15;SMSF0007964;STK993901;AKOS000575563;CB09308;CCG-105559;BIM-0006662.P001;A1742;EU-0044055;SR-01000485949;SR-01000485949-1;propan-2-yl {[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetate;PROPAN-2-YL 2-{[5-(4-METHYLPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETATE

Chemical Property of (5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid isopropyl ester

Chemical Property:

• Vapor Pressure: 3.73E-07mmHg at 25°C
• Boiling Point: 416.7°C at 760 mmHg
• Flash Point: 205.8°C
• PSA: 90.52000
• Density: 1.25g/cm³
• LogP: 3.08870
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 292.08816355
• Heavy Atom Count: 20
• Complexity: 320

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)OC(C)C

Technology Process of (5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid isopropyl ester

There total 7 articles about (5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid isopropyl 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: 80.0%

3-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-propionic acid (199917-70-9) → 3,4-dihydro-pyrano[3,2-c]chromene-2,5-dione (5807-40-9)

Guidance literature:

With acetic anhydride; for 2h; Heating;

DOI:10.1007/BF02290744

Reference yield:

→ 3,4-dihydro-pyrano[3,2-c]chromene-2,5-dione (5807-40-9)

Guidance literature:

With thionyl chloride;

DOI:10.1007/BF00899230

Reference yield:

3,3-dichloroallylmalonic acid → 3,4-dihydro-pyrano[3,2-c]chromene-2,5-dione (5807-40-9)

Guidance literature:

Multi-step reaction with 3 steps

1: 63 percent / ZnCl₂, POCl₃ / 40 h / 60 - 70 °C

2: 68 percent / 96percent H₂SO₄ / 4 h / 60 °C

3: 80 percent / acetic anhydride / 2 h / Heating

With sulfuric acid; acetic anhydride; zinc(II) chloride; trichlorophosphate;

DOI:10.1007/BF02290744

upstream raw materials:

3-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-propionic acid

thionyl chloride

3-(3,3-Dichloro-allyl)-4-hydroxy-chromen-2-one

phenol