Cytidine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 3'-(hydrogen butanedioate)

Base Information

• Chemical Name: Cytidine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 3'-(hydrogen butanedioate)
• CAS No.: 74405-44-0
• Molecular Formula: C41H39 N3 O10
• Molecular Weight: 733.775
• European Community (EC) Number: 277-853-2
• DSSTox Substance ID: DTXSID40995921
• Nikkaji Number: J318.968F
• Wikidata: Q76421522
• Mol file: 74405-44-0.mol

Synonyms:74405-44-0;Cytidine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 3'-(hydrogen butanedioate);EINECS 277-853-2;4-[(2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-yl]oxy-4-oxobutanoic acid;Bz-Dmt-deoxycytidine succinic acid;SCHEMBL14049948;DTXSID40995921;N4-Benzoyl-2'-deoxy-5'-O-DMT-cytidine 3'-O-succinate triethylamine salt;4-((2R,3S,5R)-5-(4-benzamido-2-oxopyrimidin-1(2H)-yl)-2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)tetrahydrofuran-3-yloxy)-4-oxobutanoic acid;4-(Benzoylimino)-1-{5-O-[bis(4-methoxyphenyl)(phenyl)methyl]-3-O-(3-carboxypropanoyl)-2-deoxypentofuranosyl}-1,4-dihydropyrimidin-2-ol

Chemical Property of Cytidine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 3'-(hydrogen butanedioate)

Chemical Property:

• PSA: 168.00000
• Density: 1.3g/cm³
• LogP: 5.41980
• Storage Temp.: −20°C
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 16
• Exact Mass: 733.26354445
• Heavy Atom Count: 54
• Complexity: 1320

Purity/Quality:

97% ^*data from raw suppliers

N4-BENZOYL-5'-O-(4,4'-DIMETHOXYTRITYL)-2'-DEOXYCYTIDINE 3'-O-SUCCINIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O
• Isomeric SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O

Technology Process of Cytidine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 3'-(hydrogen butanedioate)

There total 1 articles about Cytidine, N-benzoyl-5'-O-(bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-, 3'-(hydrogen butanedioate) 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: 80.0%

succinic acid anhydride (108-30-5) + 4-N-Benzoyl-2'-deoxy-5'-O-(4,4'-dimethoxytrityl)cytidine (67219-55-0) → 5'-O-dimethoxytrityl-N-benzoyldeoxycytidine 3'-succinate (74405-44-0)

Guidance literature:

With dmap; In pyridine; at 20 ℃; for 12h;

DOI:10.1016/0040-4020(84)85107-8

Reference yield:

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 5'-O-dimethoxytrityl-N-benzoyldeoxycytidine 3'-succinate (74405-44-0) → 1,3-Dicyclohexylurea (2387-23-7) + 5'-O-dimethoxytrityl-N-benzoyldeoxycytidine 3'-p-nitrophenylsuccinate (107905-16-8)

Guidance literature:

With dicyclohexyl-carbodiimide; In 1,4-dioxane; pyridine; at 20 ℃; for 2h;

DOI:10.1016/0040-4020(84)85107-8

upstream raw materials:

succinic acid anhydride

4-N-Benzoyl-2'-deoxy-5'-O-(4,4'-dimethoxytrityl)cytidine

Downstream raw materials:

1,3-Dicyclohexylurea

5'-O-dimethoxytrityl-N-benzoyldeoxycytidine 3'-p-nitrophenylsuccinate