5-Chloro-2-thienyl isocyanate

Base Information

• Chemical Name: 5-Chloro-2-thienyl isocyanate
• CAS No.: 76537-13-8
• Molecular Formula: C5H2ClNOS
• Molecular Weight: 159.596
• Mol file: 76537-13-8.mol

Synonyms:2-chlorothiophene-5-isocyanate;2-chloroisothionicotinamide;2-Chloropyridine-4-carbothioic acid amide;5-chloro-thien-2-yl isocyanate;thioamide of 2-chloroisonicotinamide;2-CHLOROTHIOISONICOTINAMIDE;2-Chlor-thioisonicotinsaeure-amid;5-chloro-2-thienyl isocyanate;2-chloro-thioisonicotinic acid amide;

Chemical Property of 5-Chloro-2-thienyl isocyanate

Chemical Property:

• Boiling Point: 215℃
• Flash Point: 84℃
• PSA: 57.67000
• Density: 1.44
• LogP: 2.36880

Purity/Quality:

99% ^*data from raw suppliers

2-Chloro-thiophene-5-isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Chloro-thiophene-5-isocyanate is used in the preparation of P2Y12 inhibitors, used in the treatment of platelet aggression illnesses.

Technology Process of 5-Chloro-2-thienyl isocyanate

There total 2 articles about 5-Chloro-2-thienyl isocyanate 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:

5-Chlorothiophene-2-carboxylic acid (24065-33-6) → 2-chloro-5-isocyanatothiophene (76537-13-8)

Guidance literature:

5-Chlorothiophene-2-carboxylic acid; With Chloro-oxo-acetic acid; N,N-dimethyl-formamide; In dichloromethane; for 1.16667h;

With sodium azide; In toluene; at 20 ℃;

Reference yield:

5-Chlor-thiophen-2-carbonsaeureazid (63806-69-9) → 2-chloro-5-isocyanatothiophene (76537-13-8)

Guidance literature:

In toluene; at 100 ℃; for 3h;

Reference yield: 100.0%

2-chloro-5-isocyanatothiophene (76537-13-8) + (±)-ethyl 6-[3-(3-tert-butoxy-3-oxopropyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)nicotinate (898227-31-1) → Ethyl 6-(3-(3-tert-butoxy-3-oxopropyl)-4-{[(5-chloro-2-thienyl)amino]carbonyl}piperazin-1-yl)-5-cyano-2-(trifluoromethyl)nicotinate

Guidance literature:

In dichloromethane; at 20 ℃;

upstream raw materials:

5-Chlor-thiophen-2-carbonsaeureazid

5-Chlorothiophene-2-carboxylic acid

Downstream raw materials:

1-(5-Chloro-2-thienyl)-3-(tetrahydro-1-methyl-4-oxo-1H-imidazol-2-ylidene) urea

Refernces

• 1、 -. "6-MEMBERED CYCLIC AMINES OR LACTAMES SUBSTITUTED WITH UREA AND PHENYL". Paragraph 0550-0552. . Retrieved 2018/04/13.
• 2、 -. "TETRAHYDROISOQUINOLINES AS FACTOR XA INHIBITORS". Page/Page column 68-69. . Retrieved 2008/06/13.