Theophylline, 8,8'-ethylenebis-

Base Information

Chemical Name:Theophylline, 8,8'-ethylenebis-
CAS No.:1784-67-4
Molecular Formula:C16H18N8O4
Molecular Weight:386.3653
Hs Code.:2933990090
NSC Number:14404
UNII:TJL0P2H9N1
DSSTox Substance ID:DTXSID50170469
Nikkaji Number:J130.196I
Wikidata:Q83040385
ChEMBL ID:CHEMBL4573757
Mol file:1784-67-4.mol

Synonyms:1784-67-4;Theophylline, 8,8'-ethylenebis-;8,8'-Ethylenebistheophylline;8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione;8,8'-Ethyleneditheophylline;TJL0P2H9N1;8,8/'-Ethylenebistheophyline;NSC-14404;1H-Purine-2,6-dione, 8,8'-(1,2-ethanediyl)bis(3,7-dihydro-1,3-dimethyl-;8,8'-Dimethylene-bis-theophylline;NSC 14404;BRN 1192852;NSC14404;UNII-TJL0P2H9N1;Theophylline,8'-ethylenebis-;8,8'-Dimethylenebistheophylline;CHEMBL4573757;DTXSID50170469;1H-Purine-2, 8,8'-(1,2-ethanediyl)bis[3,7-dihydro-1,3-dimethyl-

Suppliers and Price of Theophylline, 8,8'-ethylenebis-

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
8,8'-ETHYLENEBISTHEOPHYLLINE 95.00%
5MG
$ 498.07

Total 5 raw suppliers

Chemical Property of Theophylline, 8,8'-ethylenebis-

Chemical Property:

Boiling Point:799.6°Cat760mmHg
Flash Point:437.4°C
PSA：145.36000
Density:1.546g/cm³
LogP:-1.98080
XLogP3:-0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:386.14510109
Heavy Atom Count:28
Complexity:671

Purity/Quality:

97% ^*data from raw suppliers

8,8'-ETHYLENEBISTHEOPHYLLINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Technology Process of Theophylline, 8,8'-ethylenebis-

There total 5 articles about Theophylline, 8,8'-ethylenebis- 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: 36.0%

: 84313-34-8
(Z)-3-[5-(4-Methoxy-phenylazo)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylamino]-acrylic acid ethyl ester

: 1784-67-4
1,2-bis(theophyllin-8-yl)ethane

Guidance literature:: With hydrogenchloride; In acetic acid; for 3h; Heating;

Reference yield: 15.0%

: 84313-35-9
(Z)-3-[5-(3,4-Dimethoxy-phenylazo)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-pyrimidin-4-ylamino]-acrylic acid ethyl ester

: 1784-67-4
1,2-bis(theophyllin-8-yl)ethane

Guidance literature:: With hydrogenchloride; In acetic acid; for 3h; Heating;

Reference yield:

: 84313-36-0
6-Amino-5-(3,4-dimethoxy-phenylazo)-1,3-dimethyl-1H-pyrimidine-2,4-dione

: 1784-67-4
1,2-bis(theophyllin-8-yl)ethane

Guidance literature:: Multi-step reaction with 2 steps

1: 57 percent / dimethylformamide / 7 h / Heating

2: 15 percent / conc. HCl / acetic acid / 3 h / Heating

With hydrogenchloride; In acetic acid; N,N-dimethyl-formamide;