IBU-DC Phosphoramidite

Base Information

• Chemical Name: IBU-DC Phosphoramidite
• CAS No.: 110522-84-4
• Molecular Formula: C₄₃H₅₄N₅O₈P
• Molecular Weight: 799.904
• European Community (EC) Number: 805-240-7
• DSSTox Substance ID: DTXSID50551890
• Nikkaji Number: J1.535.421F
• Mol file: 110522-84-4.mol

Synonyms:IBU-DC Phosphoramidite;110522-84-4;N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]-2-methylpropanamide;(2R,3S,5R)-2-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(4-isobutyramido-2-oxopyrimidin-1(2H)-yl)tetrahydrofuran-3-yl (2-cyanoethyl) diisopropylphosphoramidite;IBU-DCPhosphoramidite;DTXSID50551890;AKOS016009504;AC-32362;HY-138584;CS-0159233;DMT-DCYTIDINE (N6-BENZOYL) CYANOETHYL PHOSPHORAMIDITE);5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]-3'-O-{(2-cyanoethoxy)[di(propan-2-yl)amino]phosphanyl}-2'-deoxy-N-(2-methylpropanoyl)cytidine

Chemical Property of IBU-DC Phosphoramidite

Chemical Property:

• PKA: 10.01±0.20(Predicted)
• PSA: 159.99000
• LogP: 7.88538
• Storage Temp.: 2-8°C
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 19
• Exact Mass: 799.37100070
• Heavy Atom Count: 57
• Complexity: 1360

Purity/Quality:

97% ^*data from raw suppliers

IBU-DCPhosphoramidite ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)NC1=NC(=O)N(C=C1)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N
• Isomeric SMILES: CC(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N(C(C)C)C(C)C)OCCC#N

Technology Process of IBU-DC Phosphoramidite

There total 4 articles about IBU-DC Phosphoramidite 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:

4,4'-dimethoxytrityl chloride (40615-36-9) → N4-isobutyryl-2'-deoxycytidine-3'-diisopropylaminocyanoethyl phosphoramidite (110522-84-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent

DOI:10.1016/S0040-4039(00)88541-X

Reference yield:

N4-isobutyryll-2'-deoxycytidine (110522-75-3) → N4-isobutyryl-2'-deoxycytidine-3'-diisopropylaminocyanoethyl phosphoramidite (110522-84-4)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent

DOI:10.1016/S0040-4039(00)88541-X

Reference yield:

2'-Deoxycytidine (951-77-9) → N4-isobutyryl-2'-deoxycytidine-3'-diisopropylaminocyanoethyl phosphoramidite (110522-84-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 71 percent

2: 60 percent

DOI:10.1016/S0040-4039(00)88541-X

upstream raw materials:

N,N,N',N'-tetraisopropyl 2-cyanoethylphosphorodiamidite

N-(1-((2R,4S,5R)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-hydroxytetrahydrofuran-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)isobutyramide

4,4'-dimethoxytrityl chloride

N⁴-isobutyryll-2'-deoxycytidine