3',5'-Diacetylthymidine

Base Information

• Chemical Name: 3',5'-Diacetylthymidine
• CAS No.: 6979-97-1
• Molecular Formula: C14H18 N2 O7
• Molecular Weight: 326.306
• European Community (EC) Number: 230-244-5
• Mol file: 6979-97-1.mol

Synonyms:3',5'-Diacetylthymidine;SCHEMBL11986879;6979-97-1

Chemical Property of 3',5'-Diacetylthymidine

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 126 - 128 C
• Refractive Index: 1.5080 (estimate)
• Boiling Point: 463.51°C (rough estimate)
• PSA: 116.69000
• Density: 1.37 g/cm³
• LogP: -0.37270
• Storage Temp.: 0-6°C
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 326.11140092
• Heavy Atom Count: 23
• Complexity: 572

Purity/Quality:

99% ^*data from raw suppliers

3',5'-Di-O-acetylthymidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Not regulated UN NO.
• Hazard Codes: Not regulated UN NO.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C)OC(=O)C
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H](O2)COC(=O)C)OC(=O)C

Technology Process of 3',5'-Diacetylthymidine

There total 25 articles about 3',5'-Diacetylthymidine 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: 100.0%

acetic anhydride (108-24-7) + thymidine (50-89-5,28854-96-8,3545-96-8,50-88-4) → 3',5'-diacetylthymidine (6979-97-1,97834-40-7,142405-86-5)

Guidance literature:

With pyridine; for 2h;

DOI:10.1002/recl.19921110207

Reference yield: 94.0%

acetyl chloride (75-36-5) + thymidine (50-89-5,28854-96-8,3545-96-8,50-88-4) → 3',5'-diacetylthymidine (6979-97-1,97834-40-7,142405-86-5)

Guidance literature:

With dmap; triethylamine; In acetonitrile; at 20 ℃; for 5h;

DOI:10.1016/j.ejmech.2014.02.011

Reference yield: 93.0%

C20H32N2O8Si (1233037-19-8) → 3',5'-diacetylthymidine (6979-97-1,97834-40-7,142405-86-5)

Guidance literature:

With tin(IV) chloride; at 0 ℃; Inert atmosphere;

DOI:10.1080/15257771003612847

upstream raw materials:

acetic anhydride

thymidine

4-O-phenylthymidine

5-methyl-6-phenylthio-3',5'-O-(tetraisopropyldisiloxan-1,3-diyl)-2'-deoxyuridine

Downstream raw materials:

1-(3,5-Di-O-acetyl-2-deoxy-β-D-erythro-pentofuranosyl)-5-methyl-4-(1,2,4-triazol-1-yl)-2(1H)-pyrimidinone

3',5'-di-O-acetyl-O⁴-p-nitrophenylethylthymidine

O⁴-(4-nitrophenylsulfonylethyl)thymidine

Acetic acid (2R,3S,5R)-2-acetoxymethyl-5-(3-chloromethoxycarbonyloxymethyl-5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl ester