Proxyphylline

Base Information

Chemical Name:Proxyphylline
CAS No.:603-00-9
Molecular Formula:C₁₀H₁₄N₄O₃
Molecular Weight:238.246
Hs Code.:2939590000
European Community (EC) Number:210-028-7
NSC Number:759279,163343
UNII:13G1DMN4P0
DSSTox Substance ID:DTXSID5023536
Nikkaji Number:J2.074E
Wikipedia:Proxyphylline
Wikidata:Q7252904
NCI Thesaurus Code:C80339
Metabolomics Workbench ID:154256
ChEMBL ID:CHEMBL37390
Mol file:603-00-9.mol

Synonyms:7-(2-hydroxypropyl)theophylline;proxiphylline;proxyphylline;Purophyllin;Spasmolysin

Suppliers and Price of Proxyphylline

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

Alichem
7-(2-Hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
25g
$ 191.90

Alichem
7-(2-Hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
100g
$ 539.55

Ambeed
7-(2-Hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 99+%
100mg
$ 5.00

Ambeed
7-(2-Hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 99+%
1g
$ 11.00

Ambeed
7-(2-Hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 99+%
5g
$ 32.00

Ambeed
7-(2-Hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 99+%
25g
$ 105.00

American Custom Chemicals Corporation
PROXYPHYLLINE 95.00%
10MG
$ 679.14

American Custom Chemicals Corporation
PROXYPHYLLINE 95.00%
100MG
$ 1612.96

ApexBio Technology
Proxyphylline
1g
$ 80.00

ApexBio Technology
Proxyphylline
10mM (in 1mL DMSO)
$ 42.00

Total 66 raw suppliers

Chemical Property of Proxyphylline

Chemical Property:

Vapor Pressure:2.63E-10mmHg at 25°C
Melting Point:134-136°C
Boiling Point:487.2ºC
PKA:14.55±0.20(Predicted)
Flash Point:248.5ºC
PSA：82.05000
Density:1.46 g/cm³
LogP:-1.18550
Storage Temp.:Refrigerator
Solubility.:Solution S is clear (2.2.1) and colourless (2.2.2, Method II).
Water Solubility.:285.7g/L(temperature not stated)
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:238.10659032
Heavy Atom Count:17
Complexity:348

Purity/Quality:

99% ^*data from raw suppliers

7-(2-Hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22
Safety Statements: 36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(CN1C=NC2=C1C(=O)N(C(=O)N2C)C)O
Uses A metabolite of Theophylline in human plasma.

Technology Process of Proxyphylline

There total 9 articles about Proxyphylline 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: 74.0%

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

: 75-56-9,16033-71-9
methyloxirane

: 603-00-9,86480-51-5,86540-95-6,86540-96-7
proxyphylline

Guidance literature:: With triethylamine; In methanol; for 4h; Reflux;
DOI:10.1021/acs.joc.5b01840

Reference yield:

: 10226-64-9
7-Acetonyltheophylline

: 603-00-9,86480-51-5,86540-95-6,86540-96-7
proxyphylline

Guidance literature:: With ethanol; nickel; at 100 - 120 ℃; under 66195.7 Torr; Hydrogenation;

Reference yield:

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

: 603-00-9,86480-51-5,86540-95-6,86540-96-7
proxyphylline

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) aq. NaOH / 1.) EtOH, reflux, 25 min, 2.) DMF, 60 deg C, 24 h

2: NaBH₄ / methanol; diethyl ether

With sodium hydroxide; sodium tetrahydroborate; In methanol; diethyl ether;
DOI:10.1021/jm980469t