Benzoyl thiothymidine

Base Information

Chemical Name:Benzoyl thiothymidine
CAS No.:132776-22-8
Molecular Formula:C17H16F2N2O4S
Molecular Weight:382.3817
Hs Code.:
DSSTox Substance ID:DTXSID60157781

Synonyms:Benzoyl thiothymidine;132776-22-8;1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-beta-D-arabinofuranosyl)-4-thiothymidine;DTXSID60157781;1-(5-O-Benzoyl-2,3-dideoxy-2,3-difluoro-.beta.-D-arabinofuranosyl)-4-thiothymidine;[(2R,3R,4R,5R)-3,4-difluoro-5-(5-methyl-2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate

Suppliers and Price of Benzoyl thiothymidine

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of Benzoyl thiothymidine

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.44g/cm³
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:382.07988449
Heavy Atom Count:26
Complexity:624

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CN(C(=O)NC1=S)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)F)F
Isomeric SMILES:CC1=CN(C(=O)NC1=S)[C@H]2[C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)F)F

Technology Process of Benzoyl thiothymidine

There total 3 articles about Benzoyl thiothymidine 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: 30.0%

: 132776-20-6
1-(5-O-benzoyl-2,3-dideoxy-2,3-difluoro-β-D-arabinofuranosyl)thymine

: 132776-22-8
1-(5-O-benzoyl-2,3-dideoxy-2,3-difluoro-β-D-arabinofuranosyl)-4-thiothymidine

Guidance literature:: With tetraphosphorus decasulfide; In 1,4-dioxane; for 2h; Heating;
DOI:10.1021/jm00109a017

Reference yield:

: 98-88-4
benzoyl chloride

: 132776-22-8
1-(5-O-benzoyl-2,3-dideoxy-2,3-difluoro-β-D-arabinofuranosyl)-4-thiothymidine

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) pyridine / 1.) -10 deg C, overnight, 2.) RT, overnight

2: 80 percent / DBU / CH₂Cl₂ / 72 h / Ambient temperature

3: 42 percent / HF, AlF₃ / dioxane / 1 h / 170 °C

4: 30 percent / P₂S₅ / dioxane / 2 h / Heating

With pyridine; aluminum(III) fluoride; tetraphosphorus decasulfide; hydrogen fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; dichloromethane;
DOI:10.1021/jm00109a017

Reference yield:

: 69256-17-3,163252-36-6,2923-73-1
1-(2-deoxy-2-fluoro-β-D-arabinofuranosyl)thymine

: 132776-22-8
1-(5-O-benzoyl-2,3-dideoxy-2,3-difluoro-β-D-arabinofuranosyl)-4-thiothymidine

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) pyridine / 1.) -10 deg C, overnight, 2.) RT, overnight

2: 80 percent / DBU / CH₂Cl₂ / 72 h / Ambient temperature

3: 42 percent / HF, AlF₃ / dioxane / 1 h / 170 °C

4: 30 percent / P₂S₅ / dioxane / 2 h / Heating

With pyridine; aluminum(III) fluoride; tetraphosphorus decasulfide; hydrogen fluoride; 1,8-diazabicyclo[5.4.0]undec-7-ene; In 1,4-dioxane; dichloromethane;
DOI:10.1021/jm00109a017