5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione

Base Information

• Chemical Name: 5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione
• CAS No.: 53761-38-9
• Molecular Formula: C₇H₁₀N₂O₃
• Molecular Weight: 170.168
• NSC Number: 179618
• DSSTox Substance ID: DTXSID60306737
• Wikidata: Q82054006
• Mol file: 53761-38-9.mol

Synonyms:53761-38-9;5-(3-hydroxypropyl)-1H-pyrimidine-2,4-dione;5-(3-Hydroxypropyl)-2,4(1H,3H)-pyrimidinedione;5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione;5-(3-Hydroxypropyl)uracil;NSC179618;SCHEMBL23610067;DTXSID60306737;MFCD20728207;NSC-179618;SB56981;AS-47241;F12819;A900638

Chemical Property of 5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 9.05±0.10(Predicted)
• Flash Point: °C
• PSA: 85.95000
• Density: 1.266g/cm³
• LogP: -1.01190
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 170.06914219
• Heavy Atom Count: 12
• Complexity: 235

Purity/Quality:

99%, ^*data from raw suppliers

5-(3-Hydroxypropyl)pyrimidine-2,4(1H,3H)-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C(=O)NC(=O)N1)CCCO

Technology Process of 5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione

There total 1 articles about 5-(3-hydroxypropyl)pyrimidine-2,4(1H,3H)-dione 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:

→ 5-(3-hydroxypropyl)-1H,3H-pyrimidine-2,4-dione (53761-38-9)

Guidance literature:

entspr. α-(Ureidomethylen)-lacton Id, KOH, Me.;

DOI:10.1021/jm00257a021

Reference yield:

2-deoxy-3,5-di-O-(p-toluoyl)-α-D-erythropentofuranosyl chloride (3056-12-0,3601-89-6,4330-21-6,52304-86-6,141846-57-3) + 5-(3-hydroxypropyl)-1H,3H-pyrimidine-2,4-dione (53761-38-9) → C28H30N2O8

Guidance literature:

With chloro-trimethyl-silane; trimethylsilyl trifluoromethanesulfonate; 1,1,1,3,3,3-hexamethyl-disilazane; Yield given. Multistep reaction; 1.) reflux, 3 h, 2.) CHCl₃, RT, 1 h;

DOI:10.1021/jm00149a024

Reference yield:

2-deoxy-3,5-di-O-p-toluoyl-α-D-erythro-pentofuranosyl chloride (4330-21-6) + 5-(3-hydroxypropyl)-1H,3H-pyrimidine-2,4-dione (53761-38-9) → 3',5'-di-O-p-toluoyl-5-(3-hydroxypropyl)-2'-deoxyuridine (97974-94-2)

Guidance literature:

With copper(l) iodide; 1,1,1,3,3,3-hexamethyl-disilazane;

DOI:10.1080/15257770903307276

Downstream raw materials:

3',5'-di-O-p-toluoyl-5-(3-hydroxypropyl)-2'-deoxyuridine

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