4-Mspbdu

Base Information

Chemical Name:4-Mspbdu
CAS No.:125440-31-5
Molecular Formula:C29H31 Br2 N4 O14 P S
Molecular Weight:882.4216
Hs Code.:
Mol file:125440-31-5.mol

Synonyms:4-(methylsulfonyl)phenyl bis(5-(2-bromovinyl)-2'-deoxyuridin-5-yl)phosphate;4-MSPBDU

Suppliers and Price of 4-Mspbdu

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 3 raw suppliers

Chemical Property of 4-Mspbdu

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：266.25000
Density:1.829g/cm³
LogP:3.64400
XLogP3:0
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:13
Exact Mass:881.96414
Heavy Atom Count:51
Complexity:1570

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)C1=CC=C(C=C1)OP(=O)(OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C=CBr)O)OCC4C(CC(O4)N5C=C(C(=O)NC5=O)C=CBr)O
Isomeric SMILES:CS(=O)(=O)C1=CC=C(C=C1)OP(=O)(OCC2OC(CC2O)N3C(=O)NC(=O)C(=C3)/C=C/Br)OCC4OC(CC4O)N5C(=O)NC(=O)C(=C5)/C=C/Br

Technology Process of 4-Mspbdu

There total 4 articles about 4-Mspbdu 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: 70.0%

: 125440-26-8
4-(methylthio)phenyl bis<(E)-5-(2-bromovinyl)-2'-deoxyuridin-5'-yl> phosphate

: 125440-31-5
4-(methylsulfonyl)phenyl bis<(E)-5-(2-bromovinyl)-2'-deoxyuridin-5'-yl> phosphate

Guidance literature:: With 3-chloro-benzenecarboperoxoic acid; In ethanol; at 5 ℃;
DOI:10.1021/jm00167a019

Reference yield:

: 1073-72-9
4-hydroxythioanisole

: 125440-31-5
4-(methylsulfonyl)phenyl bis<(E)-5-(2-bromovinyl)-2'-deoxyuridin-5'-yl> phosphate

Guidance literature:: Multi-step reaction with 4 steps

1: 42 percent / phosphoryl chloride, 1-methylimidazole / 20 h / Heating

2: 55 percent / 1-methylimidazole / acetonitrile / 20 h / Ambient temperature

3: 70 percent / potassium carbonate / methanol; H₂O / Ambient temperature

4: 70 percent / 3-chloroperoxybenzoic acid (mcpba) / ethanol / 5 °C

With 1-methyl-1H-imidazole; potassium carbonate; 3-chloro-benzenecarboperoxoic acid; trichlorophosphate; In methanol; ethanol; water; acetonitrile;
DOI:10.1021/jm00167a019

Reference yield:

: 53676-21-4
4-(methylthio)phenyl phosphorodichloridate

: 125440-31-5
4-(methylsulfonyl)phenyl bis<(E)-5-(2-bromovinyl)-2'-deoxyuridin-5'-yl> phosphate

Guidance literature:: Multi-step reaction with 3 steps

1: 55 percent / 1-methylimidazole / acetonitrile / 20 h / Ambient temperature

2: 70 percent / potassium carbonate / methanol; H₂O / Ambient temperature

3: 70 percent / 3-chloroperoxybenzoic acid (mcpba) / ethanol / 5 °C

With 1-methyl-1H-imidazole; potassium carbonate; 3-chloro-benzenecarboperoxoic acid; In methanol; ethanol; water; acetonitrile;
DOI:10.1021/jm00167a019