2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole

Base Information

• Chemical Name: 2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole
• CAS No.: 33575-83-6
• Molecular Formula: C9H7 Cl N2 O
• Molecular Weight: 194.62
• Hs Code.: 2934999090
• European Community (EC) Number: 819-140-6
• NSC Number: 235938
• DSSTox Substance ID: DTXSID20311024
• Wikidata: Q82060364
• ChEMBL ID: CHEMBL1610614
• Mol file: 33575-83-6.mol

Synonyms:2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole;33575-83-6;2-Chloromethyl-5-phenyl-[1,3,4]oxadiazole;2-Chloromethyl-5-phenyl-1,3,4-oxadiazole;MLS000564019;SMR000175986;1,3,4-Oxadiazole, 2-(chloromethyl)-5-phenyl-;NSC235938;Enamine_005035;SCHEMBL485159;cid_314941;CHEMBL1610614;BDBM73499;DTXSID20311024;HMS1408E19;HMS2612K16;MFCD00466332;STK728641;AKOS000113679;AB06266;NSC 235938;NSC-235938;IDI1_007622;BB 0217621;FT-0660709;EN300-04650;9Y-0814;A875243;J-506308;F1721-0007;2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole, AldrichCPR

Chemical Property of 2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole

Chemical Property:

• Vapor Pressure: 0.000739mmHg at 25°C
• Melting Point: 119-121°
• Boiling Point: 316.9°Cat760mmHg
• Flash Point: 145.5°C
• PSA: 38.92000
• Density: 1.283g/cm³
• LogP: 2.47540
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.0246905
• Heavy Atom Count: 13
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole

There total 19 articles about 2-(Chloromethyl)-5-phenyl-1,3,4-oxadiazole 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: 96.0%

benzoic acid hydrazide (613-94-5) + chloroacetic acid (79-11-8) → 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole (33575-83-6)

Guidance literature:

With trichlorophosphate;

Reference yield: 88.0%

5-Phenyl-1H-tetrazole (18039-42-4,3999-10-8) + chloroacetyl chloride (79-04-9) → 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole (33575-83-6)

Guidance literature:

In toluene; at 105 ℃;

DOI:10.1134/S1070428006060170

Reference yield: 87.41%

Ν-p-methylbenzoyl-N'-chloroacetyl (50677-24-2) → 2-(chloromethyl)-5-phenyl-1,3,4-oxadiazole (33575-83-6)

Guidance literature:

With trichlorophosphate; In acetonitrile; for 8h; Reflux;

DOI:10.1016/j.bmc.2021.116370

upstream raw materials:

Ν-p-methylbenzoyl-N'-chloroacetyl

ethyl chloroacetimidate hydrochloride

benzoic acid hydrazide

chloroacetic acid

Downstream raw materials:

2-phenyl-5-pyrrolidin-1-ylmethyl-[1,3,4]oxadiazole

4-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-morpholine

1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine

1-(5-phenyl-[1,3,4]oxadiazol-2-ylmethyl)-1H-pyridin-2-ylideneamine