1-(3-Hydroxypyridin-4-yl)ethanone

Base Information

• Chemical Name: 1-(3-Hydroxypyridin-4-yl)ethanone
• CAS No.: 30152-05-7
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• Hs Code.: 2933399090
• European Community (EC) Number: 857-300-7
• DSSTox Substance ID: DTXSID50510265
• Wikidata: Q72435284
• Mol file: 30152-05-7.mol

Synonyms:1-(3-Hydroxypyridin-4-yl)ethanone;30152-05-7;4-Acetyl-3-hydroxypyridine;1-(3-hydroxypyridin-4-yl)ethan-1-one;1-(3-Hydroxy-4-pyridinyl)-ethanone;MFCD18256467;1-(3-hydroxy-4-pyridinyl)ethanone;Ethanone, 1-(3-hydroxy-4-pyridinyl)-;3-Hydroxy-4-acetylpyridine;SCHEMBL1798009;3-hydroxy-4-pyridylmethyl ketone;DTXSID50510265;BCP28934;CS-B0938;AKOS015999719;Ethanone,1-(3-hydroxy-4-pyridinyl)-;GS-6546;SY036365;1-?(3-?Hydroxy-?4-?pyridinyl)?-ethanone;Ethanone,1-(3-hydroxy-4-pyridinyl)-(9ci);FT-0745215;EN300-120984;Ethanone, 1-(3-hydroxy-4-pyridinyl)- (9CI);A876287;Z1255445560

Chemical Property of 1-(3-Hydroxypyridin-4-yl)ethanone

Chemical Property:

• Melting Point: 52-54℃
• Boiling Point: 336.468 °C at 760 mmHg
• PKA: 6.90±0.10(Predicted)
• Flash Point: 157.291 °C
• PSA: 50.19000
• Density: 1.218 g/cm³
• LogP: 0.98980
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(3-Hydroxypyridin-4-yl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=NC=C1)O

Technology Process of 1-(3-Hydroxypyridin-4-yl)ethanone

There total 8 articles about 1-(3-Hydroxypyridin-4-yl)ethanone 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: 99.0%

1-(3-(methoxymethoxy)pyridin-4-yl)ethanone (1089689-12-2) → 1-(3-hydroxypyridin-4-yl)ethan-1-one (30152-05-7)

Guidance literature:

With hydrogenchloride; In ethanol; at 20 ℃; for 16h;

Reference yield: 73.0%

1-(3-methoxypyridin-4-yl)-ethanone (83431-02-1) → 1-(3-hydroxypyridin-4-yl)ethan-1-one (30152-05-7)

Guidance literature:

With hydrogen bromide; for 24h; Heating;

Reference yield: 8.0%

5-ethoxyoxazole (15031-12-6) + methyl vinyl ketone (78-94-4,25038-87-3) → 1-(3-hydroxypyridin-4-yl)ethan-1-one (30152-05-7)

Guidance literature:

for 48h; Ambient temperature;

upstream raw materials:

5-ethoxyoxazole

methyl vinyl ketone

1-(3-methoxypyridin-4-yl)-ethanone

methyl 3-methoxy-4-pyridinecarboxylate

Downstream raw materials:

2-methyloxozalo<5,4-c>pyridine

3-methylisooxozolo<5,4-c>pyridine

1-(3-Hydroxy-pyridin-4-yl)-ethanone oxime

Ethyl 2-(4-Acetyl-3-pyridyloxy)acetate

Refernces

• 1、 -. "AMINONITRILES AS KYNURENINE PATHWAY INHIBITORS". . . Retrieved 2014/09/29.
• 2、 Camparini, Alfredo,Chimichi, Stefano,Ponticelli, Fabio,Tedeschi, Piero. "AZABENZOXAZOLES: SYNTHESIS OF 3-METHYLISOXAZOLO- AND 2-METHYLOXAZOLOPYRIDINES". . p. 1511 - 1515. Retrieved 2007/10/02.