Etamiphylline

Base Information

• Chemical Name: Etamiphylline
• CAS No.: 314-35-2
• Molecular Formula: C13H21 N5 O2
• Molecular Weight: 279.342
• Hs Code.: 2933990090
• European Community (EC) Number: 206-244-6
• NSC Number: 38348
• UNII: 221A91BQ2S
• DSSTox Substance ID: DTXSID10861866
• Nikkaji Number: J5.503D
• Wikipedia: Etamiphylline
• Wikidata: Q5402412
• NCI Thesaurus Code: C65551
• Metabolomics Workbench ID: 49604
• ChEMBL ID: CHEMBL2104264
• Mol file: 314-35-2.mol

Synonyms:Camphophylline;etamiphyllin;etamiphyllin monohydrochloride;etamiphylline;etamiphylline camphorsulfonate;etamiphylline camsylate;etamiphylline hydrochloride;ethamicyclin;millophylline;Solucyclin;Solufilina

Chemical Property of Etamiphylline

Chemical Property:

• Vapor Pressure: 1.19E-08mmHg at 25°C
• Melting Point: 75°
• Refractive Index: 1.6050 (estimate)
• Boiling Point: 460.2°Cat760mmHg
• PKA: 9.85±0.25(Predicted)
• Flash Point: 232.1°C
• PSA: 65.06000
• Density: 1.24g/cm³
• LogP: -0.22450
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 279.16952493
• Heavy Atom Count: 20
• Complexity: 385

Purity/Quality:

99% ^*data from raw suppliers

ETAMIPHYLLIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C
• Therapeutic Function: Diuretic, Cardiotonic, Smooth muscle relaxant, Respiratory stimulant

Technology Process of Etamiphylline

There total 18 articles about Etamiphylline 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%

4-benzoylbenzene-1,2-diamine (39070-63-8) + O-methyl-N-(methoxycarbonyl)-isourea (40943-37-1) → mebendazole (31431-39-7)

Guidance literature:

With acetic acid; In toluene;

Reference yield: 88.0%

(2-amino-1H-benzo[d]imidazol-6-yl)(phenyl)methanone (52329-60-9) + methyl chloroformate (79-22-1) → mebendazole (31431-39-7)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; potassium hydroxide; In N,N-dimethyl-formamide; at 120 ℃; for 24h;

DOI:10.1039/c8ob02172d

Reference yield: 83.0%

theophylline (58-55-9,75448-53-2) + 2-(diethylamino)ethyl chloride (100-35-6) → 7-[2-(diethylamino)ethyl]theophylline (314-35-2)

Guidance literature:

With potassium hydroxide; octyltrimethylammonium chloride; Aliquat 336; at 70 ℃; for 1h;

upstream raw materials:

theophylline

2-(diethylamino)ethyl chloride

(2-amino-1H-benzo[d]imidazol-6-yl)(phenyl)methanone

methyl chloroformate

Refernces

• 1、 Ke, Fang,Zhang, Peng,Lin, Chen,Lin, Xiaoyan,Xu, Jianhua,Zhou, Xiangge. "Synthesis of benzimidazoles by Cul-catalyzed three-component reaction of 2-haloaniline, ammonia and aldehyde in water". supporting information. p. 8090 - 8094. Retrieved 2018/11/23.
• 2、 Zhang, Jin,Fu, Lei-Lei,Tian, Mao,Liu, Hao-Qiu,Li, Jing-Jing,Li, Yan,He, Jun,Huang, Jian,Ouyang, Liang,Gao, Hui-Yuan,Wang, Jin-Hui. "Design and synthesis of a novel candidate compound NTI-007 targeting sodium taurocholate cotransporting polypeptide [NTCP]-APOA1-HBx-Beclin1-mediated autophagic pathway in HBV therapy". . p. 976 - 984. Retrieved 2015/03/04.