N-(thiophen-2-ylmethyl)acetamide

Base Information

• Chemical Name: N-(thiophen-2-ylmethyl)acetamide
• CAS No.: 21403-24-7
• Molecular Formula: C7H9 N O S
• Molecular Weight: 155.221
• European Community (EC) Number: 866-754-5
• DSSTox Substance ID: DTXSID00943963
• Nikkaji Number: J79.103B
• Wikidata: Q82921134
• Mol file: 21403-24-7.mol

Synonyms:N-(thiophen-2-ylmethyl)acetamide;21403-24-7;N-(thien-2-ylmethyl)acetamide;N-[(Thiophen-2-yl)methyl]acetamide;2-Thenylacetamide;BRN 0116637;ACETAMIDE, N-2-THENYL-;N-acetyl-2-thenylamine;N-(2-Thenyl)acetamide;2-acetylaminomethylthiophene;SCHEMBL885325;DTXSID00943963;BQRIKSCISYLMQV-UHFFFAOYSA-N;HMS1776M16;AKOS001136644;NCGC00329364-01;N-[(Thiophen-2-yl)methyl]ethanimidic acid;CS-0245626;EN300-30758;AB01322974-02;4-18-00-07104 (Beilstein Handbook Reference);Z29693692;F2199-0231

Chemical Property of N-(thiophen-2-ylmethyl)acetamide

Chemical Property:

• Vapor Pressure: 5.75E-05mmHg at 25°C
• Melting Point: 44-45 °C
• Boiling Point: 346.4°Cat760mmHg
• PKA: 15.39±0.46(Predicted)
• Flash Point: 163.3°C
• PSA: 57.34000
• Density: 1.156g/cm³
• LogP: 1.77510
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 155.04048508
• Heavy Atom Count: 10
• Complexity: 127

Purity/Quality:

99% ^*data from raw suppliers

N-(thiophen-2-ylmethyl)acetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCC1=CC=CS1

Technology Process of N-(thiophen-2-ylmethyl)acetamide

There total 9 articles about N-(thiophen-2-ylmethyl)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: 100.0%

2-Aminomethylthiophene (27757-85-3) + acetic anhydride (108-24-7) → N-(thiophen-2-ylmethyl)acetamide (21403-24-7)

Guidance literature:

In dichloromethane; at 0 - 20 ℃;

DOI:10.1002/chem.201304508

Reference yield: 85.0%

2-Aminomethylthiophene (27757-85-3) + Isopropenyl acetate (108-22-5) → N-(thiophen-2-ylmethyl)acetamide (21403-24-7)

Guidance literature:

In neat (no solvent); at 20 ℃; for 3h; Green chemistry;

DOI:10.1080/00397911.2014.898072

Reference yield: 80.0%

thiophene-2-carbaldehyde (98-03-3) + acetamide (60-35-5) → N-(thiophen-2-ylmethyl)acetamide (21403-24-7)

Guidance literature:

With dicobalt octacarbonyl; hydrogen; tri(p-tolyl)antimony; In tetrahydrofuran; at 120 ℃; for 24h; under 33615.5 Torr;

DOI:10.1016/j.tet.2012.01.038

upstream raw materials:

2-Aminomethylthiophene

acetic anhydride

acetic acid

thiophene-2-carbaldehyde

Downstream raw materials:

5-(acetylamino-methyl)-thiophene-2-sulfonyl chloride

N-{[5-(4-propionylphenyl)thiophen-2-yl]methyl}acetamide

N-{[5-(2,4-difluorophenyl)thiophen-2-yl]methyl}acetamide

N-{[5-(4-tert-butylphenyl)thiophen-2-yl]methyl}acetamide