N-[1-[(2R,3R,4S,5R)-3-(1,3-dioxoisoindol-2-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

Base Information

Chemical Name:N-[1-[(2R,3R,4S,5R)-3-(1,3-dioxoisoindol-2-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide
CAS No.:401812-87-1
Molecular Formula:C19H18N4O7
Molecular Weight:414.36900
Hs Code.:
DSSTox Substance ID:DTXSID90477449
Wikidata:Q82310133
Mol file:401812-87-1.mol

Synonyms:CTK1D4739;401812-87-1;DTXSID90477449

Suppliers and Price of N-[1-[(2R,3R,4S,5R)-3-(1,3-dioxoisoindol-2-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

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 N-[1-[(2R,3R,4S,5R)-3-(1,3-dioxoisoindol-2-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

Chemical Property:

PSA：154.55000
LogP:-0.29550
XLogP3:0
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:414.11754893
Heavy Atom Count:30
Complexity:817

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)N3C(=O)C4=CC=CC=C4C3=O
Isomeric SMILES:CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N3C(=O)C4=CC=CC=C4C3=O

Technology Process of N-[1-[(2R,3R,4S,5R)-3-(1,3-dioxoisoindol-2-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

There total 4 articles about N-[1-[(2R,3R,4S,5R)-3-(1,3-dioxoisoindol-2-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide 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: 95.0%

: 401812-86-0
N-{1-[(2R,3R,3aS,9aR)-3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-5,5,7,7-tetraisopropyl-tetrahydro-1,4,6,8-tetraoxa-5,7-disila-cyclopentacycloocten-2-yl]-2-oxo-1,2-dihydro-pyrimidin-4-yl}-acetamide

: 401812-87-1
N-{1-[(2R,3R,4S,5R)-3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-2-oxo-1,2-dihydro-pyrimidin-4-yl}-acetamide

Guidance literature:: With triethylamine hydrofluoride; In tetrahydrofuran;
DOI:10.1016/S0960-894X(02)00744-8

Reference yield:

: 13491-47-9
N₄-acetyl-4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

: 401812-87-1
N-{1-[(2R,3R,4S,5R)-3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-2-oxo-1,2-dihydro-pyrimidin-4-yl}-acetamide

Guidance literature:: Multi-step reaction with 4 steps

1: pyridine

2: DMAP / CH₂Cl₂ / 3 h / 0 °C

3: DBU / acetone / 3 h / 60 °C

4: 95 percent / ET₃NH*HF / tetrahydrofuran

With pyridine; dmap; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine hydrofluoride; In tetrahydrofuran; dichloromethane; acetone;
DOI:10.1016/S0960-894X(02)00744-8

Reference yield:

: 161601-95-2
N⁴-acetyl-1-[3,5-O-(1,1,3,3-tetraisopropyldisiloxane-1,3-diyl)-β-D-arabinofuranosyl]cytosine

: 401812-87-1
N-{1-[(2R,3R,4S,5R)-3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl]-2-oxo-1,2-dihydro-pyrimidin-4-yl}-acetamide

Guidance literature:: Multi-step reaction with 3 steps

1: DMAP / CH₂Cl₂ / 3 h / 0 °C

2: DBU / acetone / 3 h / 60 °C

3: 95 percent / ET₃NH*HF / tetrahydrofuran

With dmap; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine hydrofluoride; In tetrahydrofuran; dichloromethane; acetone;
DOI:10.1016/S0960-894X(02)00744-8