9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-beta-D-ribofuranosyl)-

Base Information

Chemical Name:9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-beta-D-ribofuranosyl)-
CAS No.:104532-13-0
Molecular Formula:C29H25 N5 O2
Molecular Weight:475.55
Hs Code.:
DSSTox Substance ID:DTXSID60146534
Mol file:104532-13-0.mol

Synonyms:104532-13-0;9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-beta-D-ribofuranosyl)-;DTXSID60146534;9H-Purin-6-amine, 9-[5-O-(carboxyhydroxyphosphinyl)-.beta.-D-ribofuranosyl]-;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]formic acid

Suppliers and Price of 9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-beta-D-ribofuranosyl)-

Supply Marketing:

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

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Chemical Property of 9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-beta-D-ribofuranosyl)-

Chemical Property:

XLogP3:-3.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:375.05799942
Heavy Atom Count:25
Complexity:569

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(C(=O)O)O)O)O)N
Isomeric SMILES:C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(C(=O)O)O)O)O)N

Technology Process of 9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-beta-D-ribofuranosyl)-

There total 4 articles about 9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-beta-D-ribofuranosyl)- 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: 91.0%

: 104548-61-0
2',3'-di-O-p-toluenesulfonyl-5'-O-(triphenylmethyl)-2',3'-secoadenosine

: 104532-13-0
5'-O-(triphenylmethyl)-2',3'-dideoxy-2',3'-secoadenosine-1',3'-diene

Guidance literature:: With potassium tert-butylate; In tert-butyl alcohol; at 60 ℃; for 1.5h;
DOI:10.1021/jm00162a005

Reference yield:

: 18048-85-6
5'-O-(triphenylmethyl)adenosine

: 104532-13-0
5'-O-(triphenylmethyl)-2',3'-dideoxy-2',3'-secoadenosine-1',3'-diene

Guidance literature:: Multi-step reaction with 4 steps

1: 9.9 g / sodium periodate / methanol; H₂O / 20 h / Ambient temperature

2: 87 percent / NaBH₄ / ethanol / 2 h / Ambient temperature

3: 77 percent / pyridine / 24 h / Ambient temperature

4: 91 percent / t-BuOK / 2-methyl-propan-2-ol / 1.5 h / 60 °C

With pyridine; sodium tetrahydroborate; sodium periodate; potassium tert-butylate; In methanol; ethanol; water; tert-butyl alcohol;
DOI:10.1021/jm00162a005

Reference yield:

: 104532-11-8
(R)-2-[(R)-1-(6-Amino-purin-9-yl)-2-oxo-ethoxy]-3-trityloxy-propionaldehyde

: 104532-13-0
5'-O-(triphenylmethyl)-2',3'-dideoxy-2',3'-secoadenosine-1',3'-diene

Guidance literature:: Multi-step reaction with 3 steps

1: 87 percent / NaBH₄ / ethanol / 2 h / Ambient temperature

2: 77 percent / pyridine / 24 h / Ambient temperature

3: 91 percent / t-BuOK / 2-methyl-propan-2-ol / 1.5 h / 60 °C

With pyridine; sodium tetrahydroborate; potassium tert-butylate; In ethanol; tert-butyl alcohol;
DOI:10.1021/jm00162a005