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

Base Information

• Chemical Name: 5-(Chloromethyl)-3-methyl-1,2,4-oxadiazole
• CAS No.: 1192-81-0
• Molecular Formula: C4H5ClN2O
• Molecular Weight: 132.549
• Hs Code.: 2934999090
• European Community (EC) Number: 815-255-0
• DSSTox Substance ID: DTXSID00509548
• Wikidata: Q82367201
• Mol file: 1192-81-0.mol

Synonyms:5-(chloromethyl)-3-methyl-1,2,4-oxadiazole;1192-81-0;1,2,4-OXADIAZOLE, 5-(CHLOROMETHYL)-3-METHYL-;MFCD08445357;5-chloromethyl-3-methyl-[1,2,4]oxadiazole;SCHEMBL253675;DTXSID00509548;FYDQQEVRVKAASZ-UHFFFAOYSA-N;AKOS000263764;AB45279;BS-12818;SY017189;5-chloromethyl-3-methyl-1,2,4-oxadiazole;BB 0257334;FT-0683552;3-Methyl-5-(chloromethyl)-1,2,4-oxadiazole;EN300-27104;A18117;J-516323;F2145-0238;5-(Chloromethyl)-3-methyl-1,2,4-oxadiazole, AldrichCPR;5-(Chloromethyl)-3-methyl-1 pound not2 pound not4-oxadiazole

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

Chemical Property:

• Vapor Pressure: 0.262mmHg at 25°C
• Refractive Index: 1.483
• Boiling Point: 211.669 °C at 760 mmHg
• PKA: -1.10±0.32(Predicted)
• Flash Point: 81.815 °C
• PSA: 38.92000
• Density: 1.291 g/cm³
• LogP: 1.11680
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 132.0090405
• Heavy Atom Count: 8
• Complexity: 80.4

Purity/Quality:

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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NOC(=N1)CCl

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

There total 4 articles about 5-(Chloromethyl)-3-methyl-1,2,4-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:

chloroacetyl chloride (79-04-9) + N-hydroxyacetamidine (118493-85-9,117771-39-8,1141922-26-0,1429624-21-4) → 5-chloromethyl-3-methyl-1,2,4-oxadiazole (1192-81-0)

Guidance literature:

In benzene;

Reference yield:

acetamide oxime (118493-85-9,117771-39-8,1141922-26-0,1429624-21-4) + chloroacetyl chloride (79-04-9) → 5-chloromethyl-3-methyl-1,2,4-oxadiazole (1192-81-0)

Guidance literature:

With triethylamine; In dichloromethane; at 0 - 20 ℃;

DOI:10.1021/jm040883v

Reference yield:

vinyl chloroacetate (2549-51-1) + acetamide oxime (118493-85-9,117771-39-8,1141922-26-0,1429624-21-4) → 5-chloromethyl-3-methyl-1,2,4-oxadiazole (1192-81-0)

Guidance literature:

In benzene;

DOI:10.1021/jo00808a034

upstream raw materials:

vinyl chloroacetate

acetamide oxime

chloroacetyl chloride

N-hydroxyacetamidine

Downstream raw materials:

1-cyclopentyl-3-{4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}propan-1-one

2,6-diethyl-N-(3'-methyl-1',2',4'-oxadiazol-5'-yl-methyl)-aniline

3-methyl-5-(diethoxyphosphorothioylthiomethyl)-1,2,4-oxadiazole

1-methyl-6-(4-(2-(1-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)piperidin-4-yl)-ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile

Refernces

• 1、 -. "Substituted triazolo-pyridazine derivatives as ligands for GABA receptors". . . Retrieved 2008/06/13.