8-Allyltheophylline

Base Information

Chemical Name:8-Allyltheophylline
CAS No.:74039-62-6
Molecular Formula:C₁₀H₁₂N₄O₂
Molecular Weight:220.231
Hs Code.:
NSC Number:14300
UNII:JOJ1BV11GF
DSSTox Substance ID:DTXSID70224933
Nikkaji Number:J130.162D
Wikidata:Q83103753
Mol file:74039-62-6.mol

Synonyms:8-Allyltheophylline;Theophylline, 8-allyl-;74039-62-6;JOJ1BV11GF;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-propenyl)-;NSC-14300;8-Allyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;NSC 14300;1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione;BRN 0212088;NSC14300;UNII-JOJ1BV11GF;4-26-00-02498 (Beilstein Handbook Reference);SCHEMBL4543814;DTXSID70224933;AKOS024411351;1H-Purine-2, 3,7-dihydro-1,3-dimethyl-8-(2-propenyl)-;3,9-DIHYDRO-1,3-DIMETHYL-8-(2-PROPEN-1-YL)-1H-PURINE-2,6-DIONE;1,3-dimethyl-8-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione;1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-8-(2-PROPEN-1-YL)-

Suppliers and Price of 8-Allyltheophylline

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 6 raw suppliers

Chemical Property of 8-Allyltheophylline

Chemical Property:

Vapor Pressure:6.99E-09mmHg at 25°C
Boiling Point:466.6°Cat760mmHg
Flash Point:236°C
PSA：72.68000
Density:1.316g/cm³
LogP:-0.31120
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:220.09602564
Heavy Atom Count:16
Complexity:344

Purity/Quality:: 97% ^*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)NC(=N2)CC=C

Technology Process of 8-Allyltheophylline

There total 7 articles about 8-Allyltheophylline 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:

: 157399-93-4
6-(3-butenylamino)-1,3-dimethyl-5-nitrosouracil

: 74039-62-6
8-allyltheophylline

Guidance literature:: In methanol; ethyl acetate; at 85 ℃; for 0.5h; Yield given;
DOI:10.1007/BF00811849

Reference yield:

: 6972-27-6
1,3-Dimethyl-6-chlorouracil

: 74039-62-6
8-allyltheophylline

Guidance literature:: Multi-step reaction with 3 steps

1: 85 percent / H₂O / 0.5 h / 100 °C

2: HCl, propyl nitrite / methanol; ethanol / 0.5 h / 40 °C

3: ethyl acetate; methanol / 0.5 h / 85 °C

With hydrogenchloride; n-propyl nitrite; In methanol; ethanol; water; ethyl acetate;
DOI:10.1007/BF00811849

Reference yield:

: 5440-00-6
4,5-Diamino-1,3-dimethyluracil

: 74039-62-6
8-allyltheophylline

Guidance literature:: Multi-step reaction with 2 steps

1: 64 percent / 1 h / 120 °C

2: base / H₂O

With base; In water;
DOI:10.1007/BF00811849