8-Anilino-7-(2,3-dihydroxypropyl)theophylline

Base Information

• Chemical Name: 8-Anilino-7-(2,3-dihydroxypropyl)theophylline
• CAS No.: 78960-47-1
• Molecular Formula: C16H19N5O4
• Molecular Weight: 345.3532
• DSSTox Substance ID: DTXSID201000160
• Nikkaji Number: J130.164K

Synonyms:78960-47-1;BRN 4582805;8-Anilino-7-(2,3-dihydroxypropyl)theophylline;Theophylline, 8-anilino-7-(2,3-dihydroxypropyl)-;DTXSID201000160;LS-149418;8-Anilino-7-(2,3-dihydroxypropyl)theophyline;7-(2,3-Dihydroxypropyl)-1,3-dimethyl-8-(phenylamino)-1H-purine-2,6(3H,7H)-dione;7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(phenylamino)-2,3,6,7-tetrahydro-1H-purine-2,6-dione;7-(2,3-Dihydroxypropyl)-1,3-dimethyl-8-(phenylimino)-3,7,8,9-tetrahydro-1H-purine-2,6-dione

Chemical Property of 8-Anilino-7-(2,3-dihydroxypropyl)theophylline

Chemical Property:

• Vapor Pressure: 2.85E-17mmHg at 25°C
• Boiling Point: 640.3°Cat760mmHg
• Flash Point: 341°C
• Density: 1.47g/cm³
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 345.14370410
• Heavy Atom Count: 25
• Complexity: 513

Purity/Quality:

99% ^*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)N(C(=N2)NC3=CC=CC=C3)CC(CO)O

Technology Process of 8-Anilino-7-(2,3-dihydroxypropyl)theophylline

There total 5 articles about 8-Anilino-7-(2,3-dihydroxypropyl)theophylline 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: 87.0%

8-phenylaminotheophylline (61034-15-9) + oxiranyl-methanol (556-52-5) → 7-(2,3-dihydroxy-1-propyl)-8-phenylaminotheophylline (78960-47-1)

Guidance literature:

With pyridine; In propan-1-ol; Heating;

DOI:10.1007/BF00759472

Reference yield: 80.0%

8-phenylaminotheophylline (61034-15-9) + epichlorohydrin (106-89-8,24969-06-0,13403-37-7) → 7-(2,3-dihydroxy-1-propyl)-8-phenylaminotheophylline (78960-47-1)

Guidance literature:

With sodium hydroxide; In propan-1-ol; Heating;

DOI:10.1007/BF00503667

Reference yield: 74.0%

7-(2,3-epoxy-1-propyl)-8-phenylaminotheophylline (78960-53-9) → 7-(2,3-dihydroxy-1-propyl)-8-phenylaminotheophylline (78960-47-1)

Guidance literature:

With water; triethylamine; In 2-methoxy-ethanol; Heating;

DOI:10.1007/BF00759472

upstream raw materials:

8-phenylaminotheophylline

oxiranyl-methanol

7-(2,3-epoxy-1-propyl)-8-phenylaminotheophylline

epichlorohydrin

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