1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate

Base Information

Chemical Name:1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate
CAS No.:126480-52-2
Molecular Formula:C₁₃H₁₈N₆O₃*ClH
Molecular Weight:342.785
Hs Code.:
DSSTox Substance ID:DTXSID00925562

Synonyms:1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate;126480-52-2;Morpholine, 4-(1-imino-2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl)-, hydrochloride, hydrate (1:1:1);7-(2-imino-2-morpholin-4-ylethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride;C13H18N6O3.ClH.H2O;DTXSID00925562;AKOS024396504;C13-H18-N6-O3.Cl-H.H2-O;LS-93067;SR-01000536053;SR-01000536053-1;7-[2-Imino-2-(morpholin-4-yl)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)

Suppliers and Price of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate

Chemical Property:

Vapor Pressure:1.39E-11mmHg at 25°C
Boiling Point:536.5°C at 760 mmHg
Flash Point:278.3°C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:342.1207162
Heavy Atom Count:23
Complexity:492

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=N)N3CCOCC3.Cl

Technology Process of 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate

There total 2 articles about 1-(7-Theophyllinyl)-2-imino-2-morpholinomethane hydrochloride hydrate 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: 76.5%

: 110-91-8,99108-56-2
morpholine

: 114841-59-7
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-acetimidic acid ethyl ester; hydrochloride

: 126480-52-2
1-(7-theophyllyl)-2-imino-2-morpholinomethane

Guidance literature:: In ethanol;
DOI:10.1007/BF00764818

Reference yield:

: 39908-33-3
7-Cyanomethyltheophylline

: 126480-52-2
1-(7-theophyllyl)-2-imino-2-morpholinomethane

Guidance literature:: Multi-step reaction with 2 steps

1: HCl (gas) / 1,2-dichloro-ethane / 20 - 25 °C

2: 76.5 percent / ethanol

With hydrogenchloride; In ethanol; 1,2-dichloro-ethane;
DOI:10.1007/BF00764818