1-Allyl-3-butylbutylxanthine

Base Information

Chemical Name:1-Allyl-3-butylbutylxanthine
CAS No.:81250-15-9
Molecular Formula:C₁₂H₁₆N₄O₂
Molecular Weight:248.285
Hs Code.:
DSSTox Substance ID:DTXSID701001870
Nikkaji Number:J2.025.862D
Wikidata:Q82995891
ChEMBL ID:CHEMBL120670
Mol file:81250-15-9.mol

Synonyms:1-Allyl-3-butylbutylxanthine;81250-15-9;1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-1-(2-propenyl)-;3,7-Dihydro-3-butyl-1-(2-propenyl)-1H-purine-2,6-dione;1-allyl-3-butyl xanthine;CHEMBL120670;SCHEMBL9429985;GIUPXMWAXSMOAM-UHFFFAOYSA-N;DTXSID701001870;LS-126625;1-Allyl-3-butyl-1,2,3,6-tetrahydro-7H-purine-2,6-dione;3-Butyl-1-(prop-2-en-1-yl)-3,9-dihydro-1H-purine-2,6-dione

Suppliers and Price of 1-Allyl-3-butylbutylxanthine

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 3 raw suppliers

Chemical Property of 1-Allyl-3-butylbutylxanthine

Chemical Property:

Vapor Pressure:4.96E-09mmHg at 25°C
Boiling Point:470.7°Cat760mmHg
Flash Point:238.5°C
PSA：72.68000
Density:1.224g/cm³
LogP:0.87240
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:248.12732577
Heavy Atom Count:18
Complexity:358

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN1C2=C(C(=O)N(C1=O)CC=C)NC=N2

Technology Process of 1-Allyl-3-butylbutylxanthine

There total 3 articles about 1-Allyl-3-butylbutylxanthine 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:

: 53681-49-5
6-amino-1-n-butyl-1,3-dihydropyrimidine-2,4-dione

: 81250-15-9
1-Allyl-3-butyl xanthine

Guidance literature:: Multi-step reaction with 3 steps

1.1: HMDS; (NH₄)2SO₄ / Heating

1.2: Heating

2.1: aq. NaNO₂; HOAc

2.2: Na₂S₂O₄; NH₄OH / 85 - 95 °C

3.1: Heating

With ammonium sulfate; acetic acid; 1,1,1,3,3,3-hexamethyl-disilazane; sodium nitrite;
DOI:10.1016/S0960-894X(03)00722-4

Reference yield:

: 628278-98-8
3-allyl-6-amino-1-butyl-1H-pyrimidine-2,4-dione

: 81250-15-9
1-Allyl-3-butyl xanthine

Guidance literature:: Multi-step reaction with 2 steps

1.1: aq. NaNO₂; HOAc

1.2: Na₂S₂O₄; NH₄OH / 85 - 95 °C

2.1: Heating

With acetic acid; sodium nitrite;
DOI:10.1016/S0960-894X(03)00722-4