3-(5-Bromothiophen-2-yl)-3-oxopropanenitrile

Base Information

• Chemical Name: 3-(5-Bromothiophen-2-yl)-3-oxopropanenitrile
• CAS No.: 71683-02-8
• Molecular Formula: C7H4 Br N O S
• Molecular Weight: 230.08
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30461281
• Nikkaji Number: J2.786.530E
• Wikidata: Q72512995
• Mol file: 71683-02-8.mol

Synonyms:3-(5-bromothiophen-2-yl)-3-oxopropanenitrile;71683-02-8;3-(5-BROMO-THIOPHEN-2-YL)-3-OXO-PROPIONITRILE;SCHEMBL1426699;DTXSID30461281;LKOVNZVKMAKROL-UHFFFAOYSA-N;AKOS000188764;2-(5-bromothiophene-2-carbonyl)acetonitrile;FT-0752938;EN300-71591;J-510756;Z317041974

Chemical Property of 3-(5-Bromothiophen-2-yl)-3-oxopropanenitrile

Chemical Property:

• PSA: 69.10000
• Density: 1.685
• LogP: 2.60698
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 228.91970
• Heavy Atom Count: 11
• Complexity: 210

Purity/Quality:

97% ^*data from raw suppliers

3-(5-Bromo-thiophen-2-yl)-3-oxo-propionitrile 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1)Br)C(=O)CC#N

Technology Process of 3-(5-Bromothiophen-2-yl)-3-oxopropanenitrile

There total 7 articles about 3-(5-Bromothiophen-2-yl)-3-oxopropanenitrile 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: 66.0%

2-(2-bromoacetyl)-5-bromothiophene (10531-44-9) + potassium cyanide (151-50-8) → 3-(5-bromo-thiophen-2-yl)-3-oxo-propionitrile (71683-02-8)

Guidance literature:

In ethanol; water; at 0 - 20 ℃;

DOI:10.1016/j.ejmech.2004.06.009

Reference yield: 60.0%

C7H6BrNO2S → 3-(5-bromo-thiophen-2-yl)-3-oxo-propionitrile (71683-02-8)

Guidance literature:

With oxalic acid diethyl ester; sodium hydroxide; In ethanol; for 4h; Reflux;

DOI:10.1016/j.tet.2009.08.084

Reference yield: 54.0%

5-bromo-2-thiophenecarboxylic acid methyl ester (62224-19-5) + acetonitrile (75-05-8,26809-02-9) → 3-(5-bromo-thiophen-2-yl)-3-oxo-propionitrile (71683-02-8)

Guidance literature:

With sodium methylate; In methanol; for 15h; Solvent; Reagent/catalyst; Temperature; Time; Inert atmosphere; Reflux;

DOI:10.1016/j.bmc.2016.09.015

upstream raw materials:

2-(2-bromoacetyl)-5-bromothiophene

potassium cyanide

(2Z)-3-amino-3-(5-bromo-2-thienyl)-2-propenenitrile

(2E,Z)-3-amino-3-(5-bromo-2-thienyl)-2-propenenitrile

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 71683-02-8 3-(5-BROMO-THIOPHEN-2-YL)-3-OXO-PROPIONITRILE

Send

Send

Metric Ton KG G Pound L ML

Send

Send