7-(3-Hydroxypropyl)theophylline

Base Information

Chemical Name:7-(3-Hydroxypropyl)theophylline
CAS No.:23146-04-5
Molecular Formula:C10H14 N4 O3
Molecular Weight:238.246
Hs Code.:2933990090
European Community (EC) Number:245-453-7
NSC Number:60290
UNII:Q5WZC3H2AY
DSSTox Substance ID:DTXSID80177724
Nikkaji Number:J54.377B
Wikidata:Q83048047
Mol file:23146-04-5.mol

Synonyms:7-(3-Hydroxypropyl)theophylline;gamma-OT;23146-04-5;Theophylline, 7-(3-hydroxypropyl)-;EINECS 245-453-7;X 991;7-(gamma-Hydroxypropyl)theophylline;NSC 60290;Q5WZC3H2AY;BRN 0263353;3,7-Dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione;NSC-60290;4-26-00-02367 (Beilstein Handbook Reference);1H-Purine-2,6-dione, 3,7-dihydro-7(3-hydroxypropyl)-1,3-dimethyl-;1H-Purine-2,6-dione, 3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-;7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione;.gamma.-OT;UNII-Q5WZC3H2AY;SCHEMBL9293406;7-(3-Hydroxypropyl)theophyline;DTXSID80177724;7-(3-hydroxypropyl) theophylline;NSC60290;AKOS024284508;LS-149607;WLN: T56 BN DN FNVNVJ B3Q F1 H1;X-991;7-(.GAMMA.-HYDROXYPROPYL)THEOPHYLLINE;Z112209734;1H-Purine-2, 3,7-dihydro-7-(3-hydroxypropyl)-1,3-dimethyl-;1H-Purine-2,6-dione, 3,7-dihydro-7(3-hydroxypropyl)-1,3-dimethyl-(9CI)

Suppliers and Price of 7-(3-Hydroxypropyl)theophylline

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

Total 7 raw suppliers

Chemical Property of 7-(3-Hydroxypropyl)theophylline

Chemical Property:

Vapor Pressure:3.73E-11mmHg at 25°C
Boiling Point:508.3°Cat760mmHg
Flash Point:261.2°C
PSA：82.05000
Density:1.45g/cm³
LogP:-1.18390
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:238.10659032
Heavy Atom Count:17
Complexity:336

Purity/Quality:: 99% ^*data from raw suppliers

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)CCCO

Technology Process of 7-(3-Hydroxypropyl)theophylline

There total 4 articles about 7-(3-Hydroxypropyl)theophylline 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: 46.0%

: 23146-06-7
7-(3-bromo-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

: 23146-04-5
7-(3-hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: With silver nitrate; bis(tri-n-butyltin)oxide; In N,N-dimethyl-formamide; for 120h; Ambient temperature;
DOI:10.1021/jm990085i

Reference yield:

: 58-55-9,75448-53-2
theophylline

: 23146-04-5
7-(3-hydroxy-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) NaH / 1.) DMF, 2.) DMF, 60 deg C, 2.5 h

2: 46 percent / AgNO₃, bis(tributyltin)oxide / dimethylformamide / 120 h / Ambient temperature

With sodium hydride; silver nitrate; bis(tri-n-butyltin)oxide; In N,N-dimethyl-formamide;
DOI:10.1021/jm990085i