N(3)-Methyl-2'-deoxycytidine

Base Information

• Chemical Name: N(3)-Methyl-2'-deoxycytidine
• CAS No.: 22882-02-6
• Molecular Formula: C10H15 N3 O4
• Molecular Weight: 241.247
• DSSTox Substance ID: DTXSID00177423
• Nikkaji Number: J853.338E
• Wikidata: Q83047751
• Mol file: 22882-02-6.mol

Synonyms:2'-deoxy-N(3)-methylcytidine;m3dC;N(3)-methyl-2'-deoxycytidine

Chemical Property of N(3)-Methyl-2'-deoxycytidine

Chemical Property:

• Boiling Point: 460.5°Cat760mmHg
• PKA: 14.03±0.60(Predicted)
• Flash Point: 232.3°C
• PSA: 100.10000
• Density: 1.56g/cm³
• LogP: -1.24010
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 241.10625597
• Heavy Atom Count: 17
• Complexity: 369

Purity/Quality:

97% ^*data from raw suppliers

N(3)-Methyl-2'-deoxycytidine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC1=NC(=O)N(C=C1)C2CC(C(O2)CO)O
• Isomeric SMILES: CNC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)CO)O
• Uses: 2''-Deoxy-N-methyl-cytidine is a nucleotide derivative used as an analytical reagent.

Technology Process of N(3)-Methyl-2'-deoxycytidine

There total 4 articles about N(3)-Methyl-2'-deoxycytidine 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: 52.0%

trimethyl phosphite (512-56-1) + 2'-Deoxycytidine (951-77-9) → 4-methylamino-1-(β-D-2-deoxyribofuranosyl)pyrimidin-2(1H)-one (22882-02-6) + [1-(4-Ethoxy-phenyl)-meth-(E)-ylidene]-(4-iodo-phenyl)-amine (73977-65-8)

Guidance literature:

In N,N-dimethyl-formamide; at 70 ℃; for 32h;

DOI:10.1246/bcsj.53.277

Reference yield:

N4-isobutyryll-2'-deoxycytidine (110522-75-3) → 4-methylamino-1-(β-D-2-deoxyribofuranosyl)pyrimidin-2(1H)-one (22882-02-6) + 2'-Deoxycytidine (951-77-9)

Guidance literature:

With ammonia; methylamine; In water; at 65 ℃; for 1h; Product distribution; deprotection reagent;

DOI:10.1016/S0040-4039(00)73341-7

Reference yield:

N4-benzoyl-2'-deoxycytidine (4836-13-9) → 4-methylamino-1-(β-D-2-deoxyribofuranosyl)pyrimidin-2(1H)-one (22882-02-6) + 2'-Deoxycytidine (951-77-9)

Guidance literature:

With ammonia; methylamine; In water; at 65 ℃; for 1h; Product distribution; deprotection reagent;

DOI:10.1016/S0040-4039(00)73341-7

upstream raw materials:

N⁴-isobutyryll-2'-deoxycytidine

N₄-benzoyl-2'-deoxycytidine

N⁴-propionyl-2'-deoxycytydine

trimethyl phosphite

Downstream raw materials:

2'-Deoxycytidine