4-Thiothymidine 3',5'-dibenzoate

Base Information

Chemical Name:4-Thiothymidine 3',5'-dibenzoate
CAS No.:93841-35-1
Molecular Formula:C24H22 N2 O6 S
Molecular Weight:466.514
Hs Code.:
European Community (EC) Number:299-004-5
DSSTox Substance ID:DTXSID70917555
Nikkaji Number:J320.536C
Wikidata:Q82889129
Mol file:93841-35-1.mol

Synonyms:93841-35-1;4-Thiothymidine 3',5'-dibenzoate;((2R,3S,5R)-3-(Benzoyloxy)-5-(5-methyl-2-oxo-4-thioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl benzoate;EINECS 299-004-5;3',5'-di-O-benzoyl-4-thiothymidine;DTXSID70917555;DTXPUJHMWWHYNV-XUVXKRRUSA-N;1-(3,5-Di-O-benzoyl-2-deoxypentofuranosyl)-5-methyl-4-sulfanylpyrimidin-2(1H)-one

Suppliers and Price of 4-Thiothymidine 3',5'-dibenzoate

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 4 raw suppliers

Chemical Property of 4-Thiothymidine 3',5'-dibenzoate

Chemical Property:

Melting Point:159-160 °C (ethanol)
PSA：131.71000
Density:1.40±0.1 g/cm3 (20 °C, 760 mmHg)
LogP:3.58440
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:466.11985760
Heavy Atom Count:33
Complexity:803

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)C2CC(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Isomeric SMILES:CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Technology Process of 4-Thiothymidine 3',5'-dibenzoate

There total 4 articles about 4-Thiothymidine 3',5'-dibenzoate 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:

: 35898-30-7
3',5'-di-O-benzoylthymidine

: 93841-35-1
O^3'_,O5'-dibenzoyl-4-thio-thymidine

Guidance literature:: With pyridine; tetraphosphorus decasulfide;
DOI:10.1021/ja01510a042

Reference yield:

: 98-88-4
benzoyl chloride

: 93841-35-1
O^3'_,O5'-dibenzoyl-4-thio-thymidine

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine

2: aqueous pyridine; P₂S₅

With pyridine; tetraphosphorus decasulfide;
DOI:10.1021/ja01510a042

Reference yield:

: 50-89-5,28854-96-8,3545-96-8,50-88-4
thymidine

: 93841-35-1
O^3'_,O5'-dibenzoyl-4-thio-thymidine

Guidance literature:: Multi-step reaction with 2 steps

1: pyridine

2: aqueous pyridine; P₂S₅

With pyridine; tetraphosphorus decasulfide;
DOI:10.1021/ja01510a042