8-chloro-N-(1-methylcyclopropyl)-2,2-dioxo-2$l^{6},9-dithia-3,5-diazab icyclo[4.3.0]nona-3,7,10-trien-4-amine

Base Information

• Chemical Name: 8-chloro-N-(1-methylcyclopropyl)-2,2-dioxo-2$l^{6},9-dithia-3,5-diazab icyclo[4.3.0]nona-3,7,10-trien-4-amine
• CAS No.: 279215-43-9
• Molecular Formula: C9H10 Cl N3 O2 S2
• Molecular Weight: 291.782
• Mol file: 279215-43-9.mol

Synonyms:6-Chloro-3-[[1-methylcyclopropyl]amino]-4H-thieno[3,2-e]-1,2,4-thiadiazine1,1-dioxide; NN 414; Tifenazoxide

Chemical Property of 8-chloro-N-(1-methylcyclopropyl)-2,2-dioxo-2$l^{6},9-dithia-3,5-diazab icyclo[4.3.0]nona-3,7,10-trien-4-amine

Chemical Property:

• Vapor Pressure: 3.22E-08mmHg at 25°C
• Boiling Point: 448°Cat760mmHg
• Flash Point: 224.7°C
• PSA: 107.18000
• Density: 1.88g/cm³
• LogP: 3.05910
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble15mg/mL, clear

Purity/Quality:

99% ^*data from raw suppliers

NN414 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 8-chloro-N-(1-methylcyclopropyl)-2,2-dioxo-2$l^{6},9-dithia-3,5-diazab icyclo[4.3.0]nona-3,7,10-trien-4-amine

There total 4 articles about 8-chloro-N-(1-methylcyclopropyl)-2,2-dioxo-2$l^{6},9-dithia-3,5-diazab icyclo[4.3.0]nona-3,7,10-trien-4-amine 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: 89.0%

N-[(3-bromo-5-chlorothien-2-yl)sulfonyl]-N'-(1-methylcyclopropyl)guanidine (319002-85-2) → 3-amino-6-chloro-4H-thieno[3,2-e]-1,2,4-thiadiazine 1,1-dioxide (319002-53-4) + 6-chloro-3-(1-methylcyclopropyl)amino-4H-thieno[3,2-e]-1,2,4-thiadiazine 1,1-dioxide (279215-43-9)

Guidance literature:

With copper; potassium carbonate; In 1-methyl-pyrrolidin-2-one; water; at 100 ℃; for 20h;

DOI:10.1021/jm060042j

Reference yield: 66.0%

N-[(3,5-dichlorothien-2-yl)sulfonyl]-N'-(1-methylcyclopropyl)guanidine (319002-86-3) → 3-amino-6-chloro-4H-thieno[3,2-e]-1,2,4-thiadiazine 1,1-dioxide (319002-53-4) + 6-chloro-3-(1-methylcyclopropyl)amino-4H-thieno[3,2-e]-1,2,4-thiadiazine 1,1-dioxide (279215-43-9)

Guidance literature:

With copper(I) oxide; caesium carbonate; In butan-1-ol; for 20h; Heating;

DOI:10.1021/jm060042j

Reference yield: 54.0%

1-methylcyclopropylamine hydrochloride (88887-87-0) + 6-chloro-3-fluoro-4H-thieno-[3,2-e]-1,2,4-thiadiazine 1,1-dioxide (279215-55-3) → 6-chloro-3-(1-methylcyclopropyl)amino-4H-thieno[3,2-e]-1,2,4-thiadiazine 1,1-dioxide (279215-43-9)

Guidance literature:

With triethylamine; In ethanol; at 60 ℃; for 21h;

DOI:10.1021/jm0208121

upstream raw materials:

1-methylcyclopropylamine hydrochloride

6-chloro-3-fluoro-4H-thieno-[3,2-e]-1,2,4-thiadiazine 1,1-dioxide

N-[(3,5-dichlorothien-2-yl)sulfonyl]-N'-(1-methylcyclopropyl)guanidine

N-[(3-bromo-5-chlorothien-2-yl)sulfonyl]-N'-(1-methylcyclopropyl)guanidine

Refernces

• 1、 -. "Polymorphic forms of a 4H-thieno[3,2-E]-1,2,4-thiadiazine 1,1-dioxide derivative". Page 12. . Retrieved 2010/02/06.