3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

Base Information

• Chemical Name: 3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoic acid
• CAS No.: 23464-98-4
• Molecular Formula: C11H10N2O3
• Molecular Weight: 218.212
• Hs Code.: 2934999090
• European Community (EC) Number: 625-287-5
• DSSTox Substance ID: DTXSID60427850
• Nikkaji Number: J3.214.812C
• Wikidata: Q82240564
• ChEMBL ID: CHEMBL4442518
• Mol file: 23464-98-4.mol

Synonyms:3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid;23464-98-4;3-(5-Phenyl-[1,3,4]oxadiazol-2-yl)-propionic acid;5-Phenyl-1,3,4-oxadiazole-2-propionic acid;1,3,4-Oxadiazole-2-propanoicacid, 5-phenyl-;CHEMBL4442518;MFCD01244502;SCHEMBL561946;DTXSID60427850;CUYMDSTYUZAYFH-UHFFFAOYSA-N;HMS1744C22;BBL010832;BDBM50530953;STK632634;AKOS000117788;TS-00478;BB 0218569;CS-0234533;1,3,4-Oxadiazole-2-propanoicacid,5-phenyl-;EN300-14268;SR-01000074483;3-(5-Phenyl-1,3,4-oxadiazole-2-yl)propionic acid;5-Phenyl-1,3,4-oxadiazole-2-propionic acid, 97%;J-015119;SR-01000074483-1;Z99599744;3-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)PROPANOICACID;HHY

Chemical Property of 3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 2.79E-08mmHg at 25°C
• Melting Point: 139-143°C
• Refractive Index: 1.569
• Boiling Point: 433.4 °C at 760 mmHg
• PKA: 4.07±0.10(Predicted)
• Flash Point: 215.9 °C
• PSA: 76.22000
• Density: 1.299 g/cm³
• LogP: 1.75380
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 218.06914219
• Heavy Atom Count: 16
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)O

Technology Process of 3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

There total 3 articles about 3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoic acid 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: 83.0%

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate (1000167-13-4) → 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid (23464-98-4)

Guidance literature:

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate; With sodium hydroxide; water; In methanol; at 20 ℃;

In methanol; pH=5; Acidic conditions;

Reference yield: 70.0%

4-(2-benzoylhydrazinyl)-4-oxobutanoic acid (20215-79-6) → 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid (23464-98-4)

Guidance literature:

With phosphorus pentoxide; sulfuric acid; at 20 ℃;

DOI:10.1021/cg400649h

Reference yield:

succinic acid anhydride (108-30-5) + 5-phenyl-2H-1,2,3,4-tetrazole (18039-42-4) → 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid (23464-98-4)

Guidance literature:

upstream raw materials:

succinic acid anhydride

5-phenyl-2H-1,2,3,4-tetrazole

4-(2-benzoylhydrazinyl)-4-oxobutanoic acid

methyl 3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoate

Downstream raw materials:

N'-[(2E)-6-oxo-3-pentyl-1,3,6,7-tetrahydro-2H-purin-2-ylidene]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanohydrazide

(E)-4-(4-methylbenzylideneamino)-3-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-1-(piperidin-1-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione

(E)-4-(benzylideneamino)-3-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-1-(piperidin-1-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione

(E)-4-(4-chlorobenzylideneamino)-3-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)-1H-1,2,4-triazole-5(4H)-thione

Refernces

• 1、 -. "PURINONE DERIVATIVES AS HM74A AGONISTS". Page/Page column 70. . Retrieved 2008/06/13.