9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-2-deoxy-beta-D-erythro-pentofuranosyl)-

Base Information

Chemical Name:9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-2-deoxy-beta-D-erythro-pentofuranosyl)-
CAS No.:104532-17-4
Molecular Formula:C30H41 N5 O8 S2 Si
Molecular Weight:359.2319
Hs Code.:
ChEMBL ID:CHEMBL3143878
DSSTox Substance ID:DTXSID80146536
Wikidata:Q83011366

Synonyms:104532-17-4;9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-2-deoxy-beta-D-erythro-pentofuranosyl)-;CHEMBL3143878;DTXSID80146536;[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]formic acid;9H-Purin-6-amine, 9-[5-O-(carboxyhydroxyphosphinyl)-2-deoxy-.beta.-D-erythro-pentofuranosyl]-

Suppliers and Price of 9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-2-deoxy-beta-D-erythro-pentofuranosyl)-

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)-2-deoxy-beta-D-erythro-pentofuranosyl)-

Chemical Property:

Boiling Point:798.8±70.0 °C(Predicted)
Flash Point:427.3oC
PSA：192.72000
Density:1.31±0.1 g/cm3(Predicted)
LogP:0.51810
XLogP3:-1.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:5
Exact Mass:359.06308480
Heavy Atom Count:24
Complexity:539

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(C(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(C(=O)O)O)O
Isomeric SMILES:C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(C(=O)O)O)O

Technology Process of 9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-2-deoxy-beta-D-erythro-pentofuranosyl)-

There total 5 articles about 9H-Purin-6-amine, 9-(5-O-(carboxyhydroxyphosphinyl)-2-deoxy-beta-D-erythro-pentofuranosyl)- 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: 93.0%

: 18162-48-6
tert-butyldimethylsilyl chloride

: 104574-48-3
2',3'-di-O-p-toluenesulfonyl-2',3'-secoadenosine

: 104532-17-4
5'-O-(tert-butyldimethylsilyl)-2',3'-di-O-p-toluenesulfonyl-2',3'-secoadenosine

Guidance literature:: With 1H-imidazole; In N,N-dimethyl-formamide; for 3.5h; Ambient temperature;
DOI:10.1021/jm00162a005

Reference yield:

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

: 104532-17-4
5'-O-(tert-butyldimethylsilyl)-2',3'-di-O-p-toluenesulfonyl-2',3'-secoadenosine

Guidance literature:: Multi-step reaction with 5 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: 73 percent / 80percent acetic acid / 6 h / 65 °C

5: 93 percent / imidazole / dimethylformamide / 3.5 h / Ambient temperature

With pyridine; 1H-imidazole; sodium tetrahydroborate; sodium periodate; acetic acid; In methanol; ethanol; water; N,N-dimethyl-formamide;
DOI:10.1021/jm00162a005

Reference yield:

: 104532-12-9
5'-O-(triphenylmethyl)-2',3'-secoadenosine

: 104532-17-4
5'-O-(tert-butyldimethylsilyl)-2',3'-di-O-p-toluenesulfonyl-2',3'-secoadenosine

Guidance literature:: Multi-step reaction with 3 steps

1: 77 percent / pyridine / 24 h / Ambient temperature

2: 73 percent / 80percent acetic acid / 6 h / 65 °C

3: 93 percent / imidazole / dimethylformamide / 3.5 h / Ambient temperature

With pyridine; 1H-imidazole; acetic acid; In N,N-dimethyl-formamide;
DOI:10.1021/jm00162a005