5-Bromo-2'-deoxyuridine-5'-monophosphate

Base Information

• Chemical Name: 5-Bromo-2'-deoxyuridine-5'-monophosphate
• CAS No.: 6666-38-2
• Molecular Formula: C9H12BrN2O8P
• Molecular Weight: 387.081
• European Community (EC) Number: 229-706-9,257-200-8
• DSSTox Substance ID: DTXSID00985242
• Nikkaji Number: J298.053C
• Wikidata: Q76009674
• Metabolomics Workbench ID: 146524
• ChEMBL ID: CHEMBL1160593
• Mol file: 6666-38-2.mol

Synonyms:bromodeoxyuridylate

Chemical Property of 5-Bromo-2'-deoxyuridine-5'-monophosphate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 160.89000
• Density: 2.046g/cm³
• LogP: -0.94320
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 385.95146
• Heavy Atom Count: 21
• Complexity: 534

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O)O)O

Technology Process of 5-Bromo-2'-deoxyuridine-5'-monophosphate

There total 2 articles about 5-Bromo-2'-deoxyuridine-5'-monophosphate 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: 36.0%

5-bromo-2'-deoxyuridine (59-14-3,723-73-9) → C9H13BrN2O11P2 + 5Br-dUMP (6666-38-2)

Guidance literature:

5-bromo-2'-deoxyuridine; With trichlorophosphate; at -5 - 0 ℃; for 12h;

With water; at 0 - 5 ℃; for 0.5h; chemoselective reaction;

DOI:10.1021/op5002066

Reference yield:

5-bromo-2'-deoxyuridine (59-14-3,723-73-9) → 5Br-dUMP (6666-38-2)

Guidance literature:

5-bromo-2'-deoxyuridine; With N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; trichlorophosphate; at 20 ℃; for 0.4h; Flow reactor; Green chemistry;

With water; at 20 ℃; chemoselective reaction; Flow reactor; Green chemistry;

DOI:10.1021/op5002066

upstream raw materials:

5-bromo-2'-deoxyuridine

Refernces