4-(Hydroxymethyl)pyrimidine

Base Information

• Chemical Name: 4-(Hydroxymethyl)pyrimidine
• CAS No.: 33581-98-5
• Molecular Formula: C5H6N2O
• Molecular Weight: 110.115
• Hs Code.: 2933599090
• European Community (EC) Number: 682-005-3
• DSSTox Substance ID: DTXSID80513325
• Nikkaji Number: J1.637.511J
• Wikidata: Q72504867
• Mol file: 33581-98-5.mol

Synonyms:33581-98-5;4-Pyrimidinemethanol;4-(Hydroxymethyl)pyrimidine;Pyrimidin-4-ylmethanol;Pyrimidin-4-yl-Methanol;(pyrimidin-4-yl)methanol;MFCD03789625;Communicacid;4-pyrimidylmethyl alcohol;SCHEMBL1821167;DTXSID80513325;CHEBI:190860;OEYVFRVNVPKHQQ-UHFFFAOYSA-N;AKOS005254376;CS-W018611;PB12296;SY037570;TS-01538;AM20090513;FT-0678649;EN300-129462;A821856;J-019262;J-515991

Chemical Property of 4-(Hydroxymethyl)pyrimidine

Chemical Property:

• Vapor Pressure: 0.011mmHg at 25°C
• Melting Point: 75-78℃
• Refractive Index: 1.557
• Boiling Point: 250.784 °C at 760 mmHg
• PKA: 13.41±0.10(Predicted)
• Flash Point: 105.47 °C
• PSA: 46.01000
• Density: 1.228 g/cm³
• LogP: -0.03110
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 110.048012819
• Heavy Atom Count: 8
• Complexity: 67.4

Purity/Quality:

99% ^*data from raw suppliers

pyrimidin-4-ylmethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CN=C1CO

Technology Process of 4-(Hydroxymethyl)pyrimidine

There total 5 articles about 4-(Hydroxymethyl)pyrimidine 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: 83.0%

→ 4-(hydroxymethyl)pyrimidine (33581-98-5)

Guidance literature:

Reference yield: 32.0%

PYRIMIDINE (289-95-2,25247-63-6) + methanol (67-56-1) → 4-(hydroxymethyl)pyrimidine (33581-98-5)

Guidance literature:

With ammonium persulfate; sulfuric acid;

Reference yield:

methyl pyrimidine-4-carboxylate (2450-08-0) → 4-(hydroxymethyl)pyrimidine (33581-98-5)

Guidance literature:

With sodium tetrahydroborate; ethanol; In ethanol; at 0 - 25 ℃; for 2h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b02078

upstream raw materials:

PYRIMIDINE

methanol

triazolo<1,5-c>pyrimidine

4-pyrimidinecarboxaldehyde hydrazone

Downstream raw materials:

4-(bromomethyl)pyrimidine

ethyl 2-[(diphenylmethylidene)amino]-3-(pyrimidin-4-yl)propanoate

N-(5-(2,4-dichloro-6-ethoxyphenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-5-fluoro-2-(pyrimidin-4-ylmethoxy)nicotinamide

Refernces

• 1、 -. "Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP PDE5) for the treatment of sexual dysfunction". Page column 50. . Retrieved 2010/02/06.
• 2、 Sakamoto, Takao,Yoshizawa, Hiroshi,Kaneda, Sohichi,Yamanaka, Hiroshi. "SUBSTITUENT EFFECT ON THE SITE-SELECTIVE REACTION OF PYRIMIDINES". . p. 560. Retrieved 2007/10/02.