N-(5-bromothiophen-2-yl)acetamide

Base Information

• Chemical Name: N-(5-bromothiophen-2-yl)acetamide
• CAS No.: 68236-26-0
• Molecular Formula: C6H6BrNOS
• Molecular Weight: 220.08694
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10399871
• Nikkaji Number: J2.315.112J
• Wikidata: Q82202634
• Mol file: 68236-26-0.mol

Synonyms:N-(5-bromothiophen-2-yl)acetamide;68236-26-0;N-(5-bromo-2-thienyl)Acetamide;MFCD01859880;2-Acetamido-5-bromothiophene;Acetamide,N-(5-bromo-2-thienyl)-;2-acetamido-5-bromothiophen;SCHEMBL11191679;AMY7769;DTXSID10399871;SVIZHRDMDNJNMC-UHFFFAOYSA-N;BCP29992;N-(2-Bromothiophen-5-yl)acetamide;N-(5-Bromo-2-Thienyl)-Acetamide;AKOS016003097;CS-W002831;DS-2317;FS-3640;SY029595;FT-0759237;EN300-107212;A853064;2-Acetamido-5-Bromothiophene

Chemical Property of N-(5-bromothiophen-2-yl)acetamide

Chemical Property:

• Melting Point: 135-136 °C
• Boiling Point: 357.0±27.0 °C(Predicted)
• PKA: 14.02±0.70(Predicted)
• PSA: 57.34000
• Density: 1.717±0.06 g/cm3(Predicted)
• LogP: 2.54200
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 218.93535
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

N-(5-Bromothiophen-2-yl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=CC=C(S1)Br

Technology Process of N-(5-bromothiophen-2-yl)acetamide

There total 6 articles about N-(5-bromothiophen-2-yl)acetamide 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: 94.0%

(1E)-1-(5-bromothiophen-2-yl)ethanone oxime (98453-21-5) → N-(5-bromothiophen-2-yl)acetamide (68236-26-0)

Guidance literature:

With sodium hydroxide; p-toluenesulfonyl chloride; In acetone; at 0 ℃;

Reference yield: 75.0%

1-(5-bromothiophen-2-yl)ethanone oxime (74322-99-9) → N-(5-bromothiophen-2-yl)acetamide (68236-26-0)

Guidance literature:

With phosphorus pentachloride; In diethyl ether; at 0 - 25 ℃; for 16h;

Reference yield: 37.0%

2-Acetyl-5-bromothiophene (5370-25-2) → N-(5-bromothiophen-2-yl)acetamide (68236-26-0)

Guidance literature:

2-Acetyl-5-bromothiophene; With hydroxylamine; In ethanol; Heating;

With ytterbium triflate; In acetonitrile; for 24h; Heating;

DOI:10.1055/s-2006-926416

upstream raw materials:

(1E)-1-(5-bromothiophen-2-yl)ethanone oxime

2-Acetyl-5-bromothiophene

1,1-dimethylethyl (5-bromo-2-thienyl)carbamate

acetic anhydride

Downstream raw materials:

6-bromo-2-chlorothieno<2,3-b>pyridine

6-chlorothieno[2,3-b]pyridine

6-bromo-2-phenylthiothieno<2,3-b>pyridine

C₁₃H₈BrF₂NO₂S