1,1'-Methylene Bis[Theobromine]

Base Information

Chemical Name:1,1'-Methylene Bis[Theobromine]
CAS No.:77196-87-3
Molecular Formula:C₁₅H₁₆N₈O₄
Molecular Weight:372.343
Hs Code.:
UNII:A3YLV2M7UG
DSSTox Substance ID:DTXSID30543955
Nikkaji Number:J864.862J
Wikidata:Q82420924
Mol file:77196-87-3.mol

Synonyms:1,1'-Methylene Bis[Theobromine];77196-87-3;A3YLV2M7UG;1,1'-Methylene bis(theobromine);UNII-A3YLV2M7UG;Pentoxifylline impurity E [EP];1-[(3,7-DIMETHYL-2,6-DIOXOPURIN-1-YL)METHYL]-3,7-DIMETHYLPURINE-2,6-DIONE;1,1-Methylenebis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione);1H-Purine-2,6-dione, 1,1'-methylenebis(3,7-dihydro-3,7-dimethyl-;SCHEMBL10018599;DTXSID30543955;PENTOXIFYLLINE IMPURITY E [EP IMPURITY];A937029;1,1 inverted exclamation mark -Methylene Bis[Theobromine];1,1'-Methylenebis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione)

Suppliers and Price of 1,1'-Methylene Bis[Theobromine]

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

TRC
1,1’-MethyleneBis[Theobromine]
1g
$ 1355.00

TRC
1,1’-MethyleneBis[Theobromine]
100mg
$ 175.00

Total 9 raw suppliers

Chemical Property of 1,1'-Methylene Bis[Theobromine]

Chemical Property:

Melting Point:>300oC (dec.)
PSA：123.64000
LogP:-2.31340
Storage Temp.:Refrigerator
Solubility.:TFA (Slightly)
XLogP3:-0.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:372.12945102
Heavy Atom Count:27
Complexity:658

Purity/Quality:

99%, ^*data from raw suppliers

1,1’-MethyleneBis[Theobromine] ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=NC2=C1C(=O)N(C(=O)N2C)CN3C(=O)C4=C(N=CN4C)N(C3=O)C
Uses Pentoxifylline 1,1’-Methylene Bis[Theobromine] (Pentoxifylline EP Impurity E) is a Pentoxifylline (P276500) impurity.

Technology Process of 1,1'-Methylene Bis[Theobromine]

There total 3 articles about 1,1'-Methylene Bis[Theobromine] 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: 80.6%