1-Deoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-glucopyranuronic acid

Base Information

• Chemical Name: 1-Deoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-glucopyranuronic acid
• CAS No.: 66048-45-1
• Molecular Formula: C10H11FN2O8
• Molecular Weight: 306.2013
• DSSTox Substance ID: DTXSID40984512
• Nikkaji Number: J122.416F
• Wikidata: Q76009809
• Mol file: 66048-45-1.mol

Synonyms:3,4-dihydro-2,4-dioxo-5-fluoro-1(2H)pyrimidinyl-1-deoxy-1-glucopyranuronic acid;5-fluorouracil glucuronide;5-fluorouracil O-beta-D-glucuronide;MG 6758;MG-6758

Chemical Property of 1-Deoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-glucopyranuronic acid

Chemical Property:

• Melting Point: >223°C (dec.)
• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 162.08000
• Density: 1.92g/cm³
• LogP: -3.25960
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Methanol (Slightly), Water (Slightly)
• XLogP3: -2.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 306.04994348
• Heavy Atom Count: 21
• Complexity: 523

Purity/Quality:

95% ^*data from raw suppliers

5-FluorouracilN-β-D-Glucuronide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)C(=O)O)O)O)O)F
• Isomeric SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)F
• Uses: 5-Fluorouracil N-β-D-Glucuronide is the N-glucuronide derivative of 5-Fluorouracil (F596010). 5-Fluorouracil N-β-D-Glucuronide unlike its O-glucuronide analog does not possess significant antitumor activity.

Technology Process of 1-Deoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-glucopyranuronic acid

There total 5 articles about 1-Deoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-beta-D-glucopyranuronic acid 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: 80.0%

N1-(methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosyluronate)-5-fluorouracil (77476-81-4) → N1-(β-D-glucopyranuronosyl)-5-fluorouracil (66048-45-1)

Guidance literature:

With sodium hydroxide; for 24h; Ambient temperature;

Reference yield: 77.0%

5-Flour-1-(methyl-β-D-glucuronopyranosyl)uracil (74240-88-3) → N1-(β-D-glucopyranuronosyl)-5-fluorouracil (66048-45-1)

Guidance literature:

With sodium hydroxide; In methanol; water; for 0.666667h; Ambient temperature;

Reference yield:

(2S,3S,4S,5R,6S)-3,4,5,6-Tetraacetoxy-tetrahydro-pyran-2-carboxylic acid methyl ester (7355-18-2) → N1-(β-D-glucopyranuronosyl)-5-fluorouracil (66048-45-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 30.6 percent / BF₃*Et₂O / 1,2-dichloro-ethane / 5 h / 50 °C

2: 80 percent / 0.2 NaOH / 24 h / Ambient temperature

With sodium hydroxide; boron trifluoride diethyl etherate; In 1,2-dichloro-ethane;

upstream raw materials:

5-Flour-1-(methyl-β-D-glucuronopyranosyl)uracil

N¹-(methyl 2,3,4-tri-O-acetyl-β-D-glucopyranosyluronate)-5-fluorouracil

(2S,3S,4S,5R,6S)-3,4,5,6-Tetraacetoxy-tetrahydro-pyran-2-carboxylic acid methyl ester

1-(Methyl-2,3,4-tri-O-acetyl-β-D-glucuronopyranosyl)uracil

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 66048-45-1 5-fluorouracil glucuronide

Send

Send

Metric Ton KG G Pound L ML

Send

Send