6-(4-Chloro-benzyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one

Base Information

Chemical Name:6-(4-Chloro-benzyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one
CAS No.:89889-81-6
Molecular Formula:C18H19ClN4O5
Molecular Weight:406.8203
Hs Code.:
DSSTox Substance ID:DTXSID90237929
Wikidata:Q83120200

Synonyms:89889-81-6;6-(4-Chloro-benzyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one;6-(4-Chloro-benzyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one;DTXSID90237929;6-[(4-chlorophenyl)methyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-methyl-pyrazolo[4,3-d]pyrimidin-7-one

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Chemical Property of 6-(4-Chloro-benzyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one

Chemical Property:

Vapor Pressure:1.12E-21mmHg at 25°C
Boiling Point:718.7°Cat760mmHg
Flash Point:388.4°C
Density:1.67g/cm³
XLogP3:0.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:406.1043974
Heavy Atom Count:28
Complexity:617

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=NN(C2=C1N=CN(C2=O)CC3=CC=C(C=C3)Cl)C4C(C(C(O4)CO)O)O
Isomeric SMILES:CC1=NN(C2=C1N=CN(C2=O)CC3=CC=C(C=C3)Cl)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O

Technology Process of 6-(4-Chloro-benzyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one

There total 7 articles about 6-(4-Chloro-benzyl)-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo(4,3-d)pyrimidin-7-one 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: 78.0%

: 89889-73-6
Acetic acid (2R,3R,4R,5R)-4-acetoxy-5-acetoxymethyl-2-[6-(4-chloro-benzyl)-3-methyl-7-oxo-6,7-dihydro-pyrazolo[4,3-d]pyrimidin-1-yl]-tetrahydro-furan-3-yl ester

: 89889-81-6
6-(4-Chloro-benzyl)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one

Guidance literature:: With ammonia; at 0 ℃; for 18h;
DOI:10.1021/jm00374a009

Reference yield:

: 80030-73-5
2,7-dimethyl-3,8-dinitrodipyrazolo[1,5-a;1',5'-d]pyrazine-4,9-dione

: 89889-81-6
6-(4-Chloro-benzyl)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one

Guidance literature:: Multi-step reaction with 6 steps

1: 84 percent / dioxane / Ambient temperature

2: 67 percent / aq. NaBH₄ / 10percent Pd/C / methanol / 3 h

3: 73 percent / 5 h / 180 °C

4: (NH₄)2SO₄ / 8 h / Heating

5: SnCl₄ / acetonitrile / 18 h / 25 °C

6: 78 percent / methanolic NH₃ / 18 h / 0 °C

With ammonium sulfate; sodium tetrahydroborate; ammonia; tin(IV) chloride; palladium on activated charcoal; In 1,4-dioxane; methanol; acetonitrile;
DOI:10.1021/jm00374a009

Reference yield:

: 104-86-9
4-chlorobenzylamine

: 89889-81-6
6-(4-Chloro-benzyl)-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one

Guidance literature:: Multi-step reaction with 6 steps

1: 84 percent / dioxane / Ambient temperature

2: 67 percent / aq. NaBH₄ / 10percent Pd/C / methanol / 3 h

3: 73 percent / 5 h / 180 °C

4: (NH₄)2SO₄ / 8 h / Heating

5: SnCl₄ / acetonitrile / 18 h / 25 °C

6: 78 percent / methanolic NH₃ / 18 h / 0 °C

With ammonium sulfate; sodium tetrahydroborate; ammonia; tin(IV) chloride; palladium on activated charcoal; In 1,4-dioxane; methanol; acetonitrile;
DOI:10.1021/jm00374a009