2'-Deoxycytidine hydrochloride

Base Information

• Chemical Name: 2'-Deoxycytidine hydrochloride
• CAS No.: 3992-42-5
• Deprecated CAS: 1091607-54-3,13090-11-4
• Molecular Formula: C9H14ClN3O4
• Molecular Weight: 263.681
• Hs Code.: 2933.59
• European Community (EC) Number: 223-639-9,246-732-6
• UNII: X8FX60E66D
• DSSTox Substance ID: DTXSID2074956
• Wikidata: Q27293693
• ChEMBL ID: CHEMBL1356971
• Mol file: 3992-42-5.mol

Synonyms:2'-Deoxycytidine hydrochloride;3992-42-5;Deoxycytidine hydrochloride;2'-Deoxycytidine HCl;Cytidine, 2'-deoxy-, monohydrochloride;2'-Deoxycytidine (hydrochloride);2'-deoxycytidine monohydrochloride;25203-63-8;UNII-X8FX60E66D;X8FX60E66D;EINECS 223-639-9;EINECS 246-732-6;NSC 83251;Cytidine, 2'-deoxy-, hydrochloride (1:);Cytidine, 2'-deoxy-, hydrochloride (1:1);4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride;4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride;2'-Deoxycytidine monohydrochloride;4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one hydrochloride;SMR000718803;dC.HCl;2-Deoxycytidine Hydrochloride;NSC-83251;Cytosine deoxyriboside hydrochloride;MFCD00012840;C9H13N3O4.xClH;C9H13N3O4.ClH;2'-Deoxycytidinehydrochloride;2'-Deoycytidine hydrochloride;MLS001306453;MLS001332443;MLS001332444;SCHEMBL552284;2\'-Deoxycytidine hydrochloride;CHEMBL1356971;DTXSID2074956;C9-H13-N3-O4.Cl-H;C9-H13-N3-O4.x-Cl-H;Cytidine, 2'-deoxy-, hydrochloride;AKOS015843820;AKOS015961323;AS-63599;HY-17564;D0048;A824806;J-700039;Q27293693;2'-Deoxycytidine hydrochloride, analytical standard, >=99%;1-(2-DEOXY-.BETA.-D-RIBOFURANOSYL)CYTOSINE HYDROCHLORIDE;2'-Deoxycytidine hydrochloride, suitable for cell culture, BioReagent;1-(2-Deoxy-beta-D-ribofuranosyl)cytosine hydrochloride, Cytosine deoxyriboside hydrochloride

Chemical Property of 2'-Deoxycytidine hydrochloride

Chemical Property:

• Appearance/Colour: White crystalline powder
• Melting Point: 168-170 °C
• Refractive Index: 57 ° (C=1, H2O)
• Boiling Point: 497.6 °C at 760 mmHg
• Flash Point: 254.8 °C
• PSA: 110.60000
• LogP: -0.15060
• Storage Temp.: Store at RT.
• Sensitive.: Hygroscopic
• Water Solubility.: almost transparency in Water
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 263.0672836
• Heavy Atom Count: 17
• Complexity: 355

Purity/Quality:

95% ^*data from raw suppliers

2'-Deoxycytidine Hydrochloride 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-37/39-36-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)CO)O.Cl
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O.Cl
• Uses: 2''-Deoxycytidine Hydrochloride can be used in methods to produce and use pancreatic endocrine cells.

Technology Process of 2'-Deoxycytidine hydrochloride

There total 1 articles about 2'-Deoxycytidine hydrochloride 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: 78.0%

p-toluenesulfonyl chloride (98-59-9) + 3',5'-O-bis(4-chlorobenzoyl)-2'-deoxy-β-D-cytidine (127970-42-7) → 2'-deoxycytidine monohydrochloride (3992-42-5)

Guidance literature:

p-toluenesulfonyl chloride; 3',5'-O-bis(4-chlorobenzoyl)-2'-deoxy-β-D-cytidine; With sodium hydroxide; In methanol; at 40 ℃; for 4.5h; Large scale;

With hydrogenchloride; In methanol; Large scale;

DOI:10.1021/op0499371

Reference yield: 99.0%

2'-deoxycytidine monohydrochloride (3992-42-5) → 2'-Deoxycytidine (951-77-9)

Guidance literature:

With Amberlite A-26 (OH^- form); In water; for 0.5h; Ambient temperature;

DOI:10.1055/s-1984-31040

Reference yield: 99.0%

2'-deoxycytidine monohydrochloride (3992-42-5) + 2-(2-nitrophenyl)propyl chloroformate (179691-31-7) → 4-N-[2-(2-nitrophenyl)propyloxycarbonyl]-2'-deoxycytidine

Guidance literature:

2'-deoxycytidine monohydrochloride; With pyridine; chloro-trimethyl-silane; at 20 ℃;

2-(2-nitrophenyl)propyl chloroformate;

With water; sodium hydrogencarbonate; In dichloromethane; Further stages.;

DOI:10.1021/ol702106t

upstream raw materials:

p-toluenesulfonyl chloride

3',5'-O-bis(4-chlorobenzoyl)-2'-deoxy-β-D-cytidine

Downstream raw materials:

5-phenyl-2'-deoxycytidine

5-(4-anisyl)-2'-deoxycytidine

2'-Deoxycytidine

N₄-benzoyl-2'-deoxycytidine

Refernces