2,5-Dichloronicotinamide

Base Information

• Chemical Name: 2,5-Dichloronicotinamide
• CAS No.: 75291-86-0
• Molecular Formula: C6H4Cl2N2O
• Molecular Weight: 191.017
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30384128
• Wikidata: Q72467039
• Mol file: 75291-86-0.mol

Synonyms:2,5-Dichloronicotinamide;75291-86-0;2,5-dichloropyridine-3-carboxamide;3-Pyridinecarboxamide, 2,5-dichloro-;MFCD00204159;SCHEMBL4016084;2,5-DICHLORONICOTINIAMIDE;DTXSID30384128;ZFKLQPMSJKTZDR-UHFFFAOYSA-N;AMY24772;2,2,2-Tribromoethyldichlorophosphate;CL0016;AKOS005071664;AE-0764;CS-W002511;SB52826;AC-23261;SY007406;A9600;FT-0610318;J-507324

Chemical Property of 2,5-Dichloronicotinamide

Chemical Property:

• Vapor Pressure: 0.00367mmHg at 25°C
• Refractive Index: 1.603
• Boiling Point: 280.9 °C at 760 mmHg
• Flash Point: 123.7 °C
• PSA: 55.98000
• Density: 1.524 g/cm³
• LogP: 2.18760
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.9700681
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

2,5-Dichloronicotinamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=NC(=C1C(=O)N)Cl)Cl

Technology Process of 2,5-Dichloronicotinamide

There total 2 articles about 2,5-Dichloronicotinamide 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: 97.0%

2,5-dichloronicotinic acid (59782-85-3) → 2,5-dichloropyridine-3-carboxamide (75291-86-0)

Guidance literature:

2,5-dichloronicotinic acid; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 20 ℃; for 2h; Inert atmosphere;

With ammonia; In tetrahydrofuran; dichloromethane; N,N-dimethyl-formamide; at 0 - 30 ℃; for 2h;

Reference yield: 94.0%

2,5-dichloronicotinoyl chloride (78686-87-0) → 2,5-dichloropyridine-3-carboxamide (75291-86-0)

Guidance literature:

With ammonia; In 1,4-dioxane; water; at 0 ℃; for 0.166667h;

Reference yield: 95.0%

2,5-dichloropyridine-3-carboxamide (75291-86-0) → 3-cyano-2,5-dichloropyridine (126954-66-3)

Guidance literature:

With triethylamine; trifluoroacetic anhydride; In dichloromethane; at 20 ℃; for 1.5h;

upstream raw materials:

2,5-dichloronicotinic acid

2,5-dichloronicotinoyl chloride

Refernces

• 1、 -. "INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF". Paragraph 00259. . Retrieved 2018/07/31.
• 2、 -. "HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF". . . Retrieved 2015/05/06.