Theophylline, 8-(p-chloroanilino)-

Base Information

Chemical Name:Theophylline, 8-(p-chloroanilino)-
CAS No.:5434-62-8
Molecular Formula:C₁₃H₁₂ClN₅O₂
Molecular Weight:305.724
Hs Code.:2933990090
NSC Number:14126
DSSTox Substance ID:DTXSID50202714
Nikkaji Number:J48.720A
Wikidata:Q83076027
Mol file:5434-62-8.mol

Synonyms:Theophylline, 8-(p-chloroanilino)-;8-(p-Chlorophenylamino)theophylline;5434-62-8;NSC 14126;BRN 1224805;8-(4-chloroanilino)-1,3-dimethyl-7H-purine-2,6-dione;NSC14126;DTXSID50202714;NSC-14126;1H-Purine-2,6-dione, 8-((4-chlorophenyl)amino)-3,7-dihydro-1,3-dimethyl-;1H-Purine-2, 8-[(4-chlorophenyl)amino]-3,7-dihydro-1,3-dimethyl-;8-((4-Chlorophenyl)amino)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione;8-[(4-chlorophenyl)amino]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

Suppliers and Price of Theophylline, 8-(p-chloroanilino)-

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 Theophylline, 8-(p-chloroanilino)-

Chemical Property:

Vapor Pressure:1.25E-11mmHg at 25°C
Boiling Point:537.7°C at 760 mmHg
Flash Point:279°C
PSA：84.71000
Density:1.521g/cm³
LogP:1.43030
XLogP3:2.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:305.0679523
Heavy Atom Count:21
Complexity:440

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)NC3=CC=C(C=C3)Cl

Technology Process of Theophylline, 8-(p-chloroanilino)-

There total 4 articles about Theophylline, 8-(p-chloroanilino)- 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:

: 6642-31-5
6-Amino-1,3-dimethylbarbituric acid

: 5434-62-8
8-(4-chloro-anilino)-1,3-dimethyl-3,7⁽⁹⁾-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 3 steps

1: CHCl₃ / 6 h / Heating

2: 1.) trimethylsilyl azide / 1.) chloroform, a.) 0 deg C, 5 h, b.) RT, 13 h, 2.) chloroform, a.) RT, 5 h, b.) reflux, 2 h

3: 20percent aq. KHCO₃ / Heating

With trimethylsilylazide; potassium hydrogencarbonate; In chloroform;
DOI:10.1002/jhet.5570310515

Reference yield:

: N'-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-N''-(4-chloro-phenyl)-N,N-dimethyl-guanidine

: 5434-62-8
8-(4-chloro-anilino)-1,3-dimethyl-3,7⁽⁹⁾-dihydro-purine-2,6-dione

Guidance literature:: With potassium hydrogencarbonate; Heating;
DOI:10.1002/jhet.5570310515

Reference yield:

: 77012-46-5
chlorure d'amino-4 (chloromethine N-dimethyl iminium)-5 dimethyl-1,3 uracile

: 5434-62-8
8-(4-chloro-anilino)-1,3-dimethyl-3,7⁽⁹⁾-dihydro-purine-2,6-dione

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) trimethylsilyl azide / 1.) chloroform, a.) 0 deg C, 5 h, b.) RT, 13 h, 2.) chloroform, a.) RT, 5 h, b.) reflux, 2 h

2: 20percent aq. KHCO₃ / Heating

With trimethylsilylazide; potassium hydrogencarbonate;
DOI:10.1002/jhet.5570310515