8-Prop-1-enylcaffeine

Base Information

Chemical Name:8-Prop-1-enylcaffeine
CAS No.:73747-39-4
Molecular Formula:C₁₁H₁₄N₄O₂
Molecular Weight:234.258
Hs Code.:
NSC Number:101819
UNII:2RM5CF2N22
Nikkaji Number:J67.497D
Wikidata:Q76305932
Mol file:73747-39-4.mol

Synonyms:8-Prop-1-enylcaffeine;CAFFEINE, 8-(PROP-1-ENYL)-;73747-39-4;NSC 101819;2RM5CF2N22;1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)-;NSC-101819;NSC101819;UNII-2RM5CF2N22;(e)-8-(1-propenyl)caffeine;3,7-Dihydro-8-(1-propenyl)-1,3,7-trimethyl-1H-purine-2,6-dione;SCHEMBL19953704;AKOS024411361;LS-48601;1H-Purine-2, 3,7-dihydro-1,3,7-trimethyl-8-(1-propenyl)-;1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-(1-propen-1-yl)-;3,7-Dihydro-1,3,7-trimethyl-8-(1-propen-1-yl)-1H-purine-2,6-dione

Suppliers and Price of 8-Prop-1-enylcaffeine

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 4 raw suppliers

Chemical Property of 8-Prop-1-enylcaffeine

Chemical Property:

Vapor Pressure:9.66E-08mmHg at 25°C
Boiling Point:434.2°C at 760 mmHg
Flash Point:216.4°C
PSA：61.82000
Density:1.29g/cm³
LogP:0.00380
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:234.11167570
Heavy Atom Count:17
Complexity:382

Purity/Quality:: 90%,98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=CC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C
Isomeric SMILES:C/C=C/C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Technology Process of 8-Prop-1-enylcaffeine

There total 9 articles about 8-Prop-1-enylcaffeine 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: 85.0%

: 77-78-1
dimethyl sulfate

: 157399-90-1
(E)-8-(1-propenyl)theophylline

: 73747-39-4
(E)-8-(1-propenyl)caffeine

Guidance literature:: With potassium hydroxide; In methanol; water; 1.) 15 deg C, 3 h, pH 8-9, 2.) r.t., overnight;
DOI:10.1007/BF00811849

Reference yield: 42.0%

: 590-13-6
(Z)-1-propenyl bromide

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 73747-39-4
(E)-8-(1-propenyl)caffeine

Guidance literature:: With palladium(II) acetylacetonate; copper(l) iodide; tris-(o-tolyl)phosphine; lithium tert-butoxide; In tetrahydrofuran; at 130 ℃; for 2h; Inert atmosphere;
DOI:10.1002/ejoc.201000959

Reference yield:

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

: 73747-39-4
(E)-8-(1-propenyl)caffeine

Guidance literature:: Multi-step reaction with 4 steps

1: 64 percent / 1 h / 120 °C

2: base / H₂O

3: 0.1M NaOH / 1 h / Heating

4: 85 percent / 1M KOH / methanol; H₂O / 1.) 15 deg C, 3 h, pH 8-9, 2.) r.t., overnight

With potassium hydroxide; sodium hydroxide; In methanol; water;
DOI:10.1007/BF00811849