2-(2-Isocyanoethyl)thiophene

Base Information

• Chemical Name: 2-(2-Isocyanoethyl)thiophene
• CAS No.: 602268-91-7
• Molecular Formula: C7H7NS
• Molecular Weight: 137.2
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80377747
• Wikidata: Q82167092
• Mol file: 602268-91-7.mol

Synonyms:2-(2-isocyanoethyl)thiophene;2-(Thien-2-yl)ethylisocyanide;602268-91-7;SCHEMBL3835173;2-(2-isocyano-ethyl)-thiophene;DTXSID80377747;LZSOGQNQXJHKMF-UHFFFAOYSA-N;AKOS006292425;EN300-1838901

Chemical Property of 2-(2-Isocyanoethyl)thiophene

Chemical Property:

• PSA: 28.24000
• LogP: 1.44060
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.02992040
• Heavy Atom Count: 9
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

2-(THIEN-2-YL)ETHYLISOCYANIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: [C-]#[N+]CCC1=CC=CS1

Technology Process of 2-(2-Isocyanoethyl)thiophene

There total 3 articles about 2-(2-Isocyanoethyl)thiophene 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: 95.0%

N-(2-(thien-2-yl)ethyl)formamide (28783-49-5) → 2-(thiophen-2-yl)ethyl isocyanide (602268-91-7)

Guidance literature:

With bis(trichloromethyl) carbonate; In 1-methyl-pyrrolidin-2-one; dichloromethane; at -45 - 20 ℃; for 1.66667h; Inert atmosphere;

DOI:10.1016/j.bmc.2015.11.011

Reference yield:

[2-(2-thyenyl)ethyl]amine (30433-91-1) → 2-(thiophen-2-yl)ethyl isocyanide (602268-91-7)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydrogencarbonate / 20 °C

2: bis(trichloromethyl) carbonate / dichloromethane; 1-methyl-pyrrolidin-2-one / 1.67 h / -45 - 20 °C / Inert atmosphere

With bis(trichloromethyl) carbonate; sodium hydrogencarbonate; In 1-methyl-pyrrolidin-2-one; dichloromethane;

DOI:10.1016/j.bmc.2015.11.011

Reference yield:

→ 2-(thiophen-2-yl)ethyl isocyanide (602268-91-7)

Guidance literature:

With 4-methyl-morpholine; thiophosgene; In dichloromethane; at -45 - 22 ℃; for 1.33333h; Inert atmosphere;

upstream raw materials:

N-(2-(thien-2-yl)ethyl)formamide

[2-(2-thyenyl)ethyl]amine

Downstream raw materials:

N-(2,4-dimethoxybenzyl)-N-(2-oxo-1-(thiophen-2-yl)-2-(2-(thiophen-2-yl)ethylamino)ethyl)benzamide

N-[thiophen-2-yl-(2-(thiophen-2-yl)ethylcarbamoyl)methyl]benzamide

2-(3-((1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2-acetamido-N-(2-(thiophen-2-yl)ethyl)acetamide

2-phenyl-N-(2-(thiophen-2-yl)ethyl)imidazo[1,2-a]pyrimidin-3-amine

Refernces

• 1、 -. "Small-compound enhancers for functional O-mannosylation of alpha-dystroglycan, and uses thereof". Page/Page column 13; 14. . Retrieved 2019/03/14.
• 2、 Thompson, Mark J.,Chen, Beining. "Ugi reactions with ammonia offer rapid access to a wide range of 5-aminothiazole and oxazole derivatives". experimental part. p. 7084 - 7093. Retrieved 2010/01/06.