2-Thiopheneacetonitrile

Base Information

• Chemical Name: 2-Thiopheneacetonitrile
• CAS No.: 20893-30-5
• Molecular Formula: C6H5NS
• Molecular Weight: 123.178
• Hs Code.: 2934.90
• European Community (EC) Number: 244-104-6
• DSSTox Substance ID: DTXSID5066663
• Nikkaji Number: J25.372C
• Wikidata: Q27103099
• Metabolomics Workbench ID: 51295
• Mol file: 20893-30-5.mol

Synonyms:2-Thiopheneacetonitrile;20893-30-5;2-(Thiophen-2-yl)acetonitrile;2-Thienylacetonitrile;Thiophene-2-acetonitrile;2-(Cyanomethyl)thiophene;2-thiophen-2-ylacetonitrile;2-cyanomethylthiophene;thiophen-2-yl-acetonitrile;Thien-2-ylacetonitrile;thiophen-2-ylacetonitrile;(Thien-2-yl)acetonitrile;MFCD00005453;2-Thiophene-acetonitrile;2-(2-thienyl)acetonitrile;2-thienyl acetonitrile;thiophen-2-acetonitrile;2-thiophene acetonitrile;C03311;SCHEMBL37659;BIDD:GT0061;2-Thiopheneacetonitrile, 97%;DTXSID5066663;CHEBI:27382;AMY23238;STR00582;EINECS 244-104-6;STL353611;AKOS000119357;AC-2494;CS-W007592;PS-3265;AI3-08540;FT-0638060;T0799;EN300-21381;D71260;EC 244-104-6;W-107587;Q27103099;F0001-0748;Z104495654

Chemical Property of 2-Thiopheneacetonitrile

Chemical Property:

• Appearance/Colour: clear colourless to slightly brown liquid
• Vapor Pressure: 0.0921mmHg at 25°C
• Melting Point: -5oC
• Refractive Index: n20/D 1.542(lit.)
• Boiling Point: 224.3 °C at 760 mmHg
• Flash Point: 101.7 °C
• PSA: 52.03000
• Density: 1.171 g/cm³
• LogP: 1.81418
• Storage Temp.: Store below +30°C.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 123.01427034
• Heavy Atom Count: 8
• Complexity: 113

Purity/Quality:

95%, 99% ^*data from raw suppliers

Thiophene-2-acetonitrile >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi, T
• Hazard Codes: Xn,Xi,T
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37-23-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CSC(=C1)CC#N
• Uses: 2-Thiopheneacetonitrile was used as reagent during the synthesis of monodisperse Au/Au@polythiophene core/shell nanospheres.

Technology Process of 2-Thiopheneacetonitrile

There total 29 articles about 2-Thiopheneacetonitrile 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: 98.0%

2-Chloromethylthiophene (765-50-4) + trimethylsilyl cyanide (7677-24-9) → 2-cyanomethylthiophene (20893-30-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 70 ℃; for 10h;

Reference yield: 98.0%

2-(thiophen-2-yl)acetamide (4461-29-4) → 2-cyanomethylthiophene (20893-30-5)

Guidance literature:

With allyl bromide; 1,1'-carbonyldiimidazole; In acetonitrile; 1.) 0.5 h, RT; 2.) 2 h, reflux;

Reference yield: 97.0%

2-thenyl bromide (45438-73-1) + trimethylsilyl cyanide (7677-24-9) → 2-cyanomethylthiophene (20893-30-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 70 ℃; for 6h;

upstream raw materials:

2-Chloromethylthiophene

sodium cyanide

potassium cyanide

2-(thiophen-2-yl)acetamide

Downstream raw materials:

1,2,4,5-tetrachlorobenzene

N-hydroxy-2-thiophen-2-yl-acetamidine

thienylglycoxylate dethyle

9a-phenyl-4,4-di(prop-2-yn-1-yl)-7,8,9,9a-tetrahydrothieno[2,3-g]indolizin-5(4H)-one

Refernces

• 1、 Bobal, Pavel,Otevrel, Jan,Svestka, David. "One-pot method for the synthesis of 1-aryl-2-aminoalkanol derivatives from the corresponding amides or nitriles". . p. 25029 - 25045. Retrieved 2020/07/14.
• 2、 -. "Corresponding amine nitrile and method of manufacturing thereof". Paragraph 0153; 0154; 0155; 0164; 0165. . Retrieved 2018/05/07.