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

Base Information

• Chemical Name: 3-(Bromoacetyl)-4-methyl-1,2,5-oxadiazole
• CAS No.: 165066-97-7
• Molecular Formula: C₅H₅BrN₂O₂
• Molecular Weight: 205.011
• Hs Code.: 2934999090
• European Community (EC) Number: 811-413-8
• DSSTox Substance ID: DTXSID40362836
• Wikidata: Q82146304
• Mol file: 165066-97-7.mol

Synonyms:3-(Bromoacetyl)-4-methyl-1,2,5-oxadiazole;165066-97-7;2-bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone;2-Bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethan-1-one;Ethanone, 2-bromo-1-(4-methyl-1,2,5-oxadiazol-3-yl)- (9CI);3-bromoacetyl-4-methylfurazan;3-(Bromoacetyl)-4-methylfurazan;DTXSID40362836;MFCD00505140;STK689432;AKOS005602269;PS-10021;CS-0314244;J-010182;3-(Bromoacetyl)-4-methyl-1,2,5-oxadiazole, AldrichCPR

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

Chemical Property:

• PSA: 55.99000
• LogP: 0.95560
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.95344
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NON=C1C(=O)CBr

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

There total 3 articles about 3-(Bromoacetyl)-4-methyl-1,2,5-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: 74.0%

3-acetyl-4-methylfurazan (165067-10-7) → 3-bromoacetyl-4-methylfurazan (165066-97-7)

Guidance literature:

With bromine; In acetic acid; at 55 ℃; for 1h;

DOI:10.1007/BF00704009

Reference yield: 34.0%

2-Bromo-1-(4-methyl-furazan-3-yl)-ethanone oxime (212254-69-8) → 3-bromoacetyl-4-methylfurazan (165066-97-7) + 3-(2-Bromo-1,1-dinitro-ethyl)-4-methyl-furazan

Guidance literature:

With nitric acid; for 1h; Yield given;

Reference yield:

1-(methyl-furazan-3-yl)-ethanone oxime (212254-68-7) → 3-bromoacetyl-4-methylfurazan (165066-97-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 64 percent / Br₂ / dioxane / 0.08 h / 85 - 100 °C

2: HNO₃ / 1 h

With bromine; nitric acid; In 1,4-dioxane;

upstream raw materials:

3-acetyl-4-methylfurazan

2-Bromo-1-(4-methyl-furazan-3-yl)-ethanone oxime

1-(methyl-furazan-3-yl)-ethanone oxime

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