9-(4,5-Bishydroxymethylcyclopent-2-en-1-yl)-9H-adenine

Base Information

Chemical Name:9-(4,5-Bishydroxymethylcyclopent-2-en-1-yl)-9H-adenine
CAS No.:142187-88-0
Molecular Formula:C₁₂H₁₅N₅O₂
Molecular Weight:261.283
Hs Code.:
Mol file:142187-88-0.mol

Synonyms:9-(4,5-bishydroxymethylcyclopent-2-en-1-yl)-9H-adenine;9-(c-4,t-5-bishydroxymethylcyclopent-2-en-r-1-yl)-9H-adenine;9-BCA

Suppliers and Price of 9-(4,5-Bishydroxymethylcyclopent-2-en-1-yl)-9H-adenine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of 9-(4,5-Bishydroxymethylcyclopent-2-en-1-yl)-9H-adenine

Chemical Property:

Vapor Pressure:3.32E-13mmHg at 25°C
Boiling Point:556.2°Cat760mmHg
Flash Point:290.2°C
Density:1.66g/cm³
XLogP3:-0.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:261.12257474
Heavy Atom Count:19
Complexity:353

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(C(C1CO)CO)N2C=NC3=C(N=CN=C32)N
Isomeric SMILES:C1=C[C@@H]([C@H]([C@@H]1CO)CO)N2C=NC3=C(N=CN=C32)N

Technology Process of 9-(4,5-Bishydroxymethylcyclopent-2-en-1-yl)-9H-adenine

There total 44 articles about 9-(4,5-Bishydroxymethylcyclopent-2-en-1-yl)-9H-adenine 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: 83.0%

: 140440-38-6
(+/-)-9-<5'α-<(benzyloxy)methyl>-4'β-(hydroxymethyl)cyclopent-2'-en-1'β-yl>adenine

: 140440-40-0,142187-88-0
(+/-)-9--9H-adenine

Guidance literature:: With boron trichloride; In dichloromethane; at -78 ℃; for 3h;
DOI:10.1021/jm00088a026

Reference yield:

: 140440-35-3
(+/-)-5α-<(benzyloxy)methyl>-4β-(hydroxymethyl)cyclopent-2-en-1β-ylamine

: 140440-40-0,142187-88-0
(+/-)-9--9H-adenine

Guidance literature:: Multi-step reaction with 4 steps

1: 82 percent / triethylamine / ethanol / 48 h / 100 °C

2: 86 percent / 12N aq. HCl / 12 h / Ambient temperature

3: 77 percent / NH₃ / 20 h / 50 °C

4: 83 percent / BCl₃ / CH₂Cl₂ / 3 h / -78 °C

With hydrogenchloride; ammonia; boron trichloride; triethylamine; In ethanol; dichloromethane;
DOI:10.1021/jm00088a026

Reference yield:

: 140440-34-2
ethyl (+/-)-N-<5α-<(benzyloxy)methyl>-4β-(hydroxymethyl)cyclopent-2-en-1β-yl>carbamate

: 140440-40-0,142187-88-0
(+/-)-9--9H-adenine

Guidance literature:: Multi-step reaction with 5 steps

1: 86 percent / aq. KOH / methanol / 20 h / Heating

2: 82 percent / triethylamine / ethanol / 48 h / 100 °C

3: 86 percent / 12N aq. HCl / 12 h / Ambient temperature

4: 77 percent / NH₃ / 20 h / 50 °C

5: 83 percent / BCl₃ / CH₂Cl₂ / 3 h / -78 °C

With hydrogenchloride; potassium hydroxide; ammonia; boron trichloride; triethylamine; In methanol; ethanol; dichloromethane;
DOI:10.1021/jm00088a026