3'-Hydroxypropiophenone

Base Information

• Chemical Name: 3'-Hydroxypropiophenone
• CAS No.: 13103-80-5
• Molecular Formula: C9H10O2
• Molecular Weight: 150.177
• Hs Code.: 2914501900
• European Community (EC) Number: 236-027-1
• NSC Number: 63366
• UNII: A3VUA549F9
• DSSTox Substance ID: DTXSID60156855
• Nikkaji Number: J317.810B
• Wikidata: Q72481443
• ChEMBL ID: CHEMBL457730
• Mol file: 13103-80-5.mol

Synonyms:3'-Hydroxypropiophenone;1-(3-hydroxyphenyl)propan-1-one;13103-80-5;1-Propanone, 1-(3-hydroxyphenyl)-;1-(3-Hydroxyphenyl)-1-propanone;3/'-Hydroxypropiophenone;A3VUA549F9;EINECS 236-027-1;1-(3-hydroxy-phenyl)-propan-1-one;MFCD03428514;NSC-63366;(3-hydroxyphenyl)propan-1-one;NSC63366;3-hydroxyphenyl ethyl ketone;UNII-A3VUA549F9;SCHEMBL79656;CHEMBL457730;DTXSID60156855;AM721;NSC 63366;AKOS006277840;CS-W018910;AC-23112;DS-13616;SY047086;FT-0600505;3 inverted exclamation mark -Hydroxypropiophenone;EN300-2980529;A806187;W-108341;B0001-009577;3-hydroxy-1-phenyl-propan-1-one;1-(3-Hydroxyphenyl)propan-1-one

Chemical Property of 3'-Hydroxypropiophenone

Chemical Property:

• Melting Point: 82 °C
• Boiling Point: 288.9 °C at 760 mmHg
• PKA: 9.09±0.10(Predicted)
• Flash Point: 121.4 °C
• PSA: 37.30000
• Density: 1.104 g/cm³
• LogP: 1.98490
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068079557
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

99% ^*data from raw suppliers

1-?(3-?Hydroxyphenyl)?-?1-?propanone ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1=CC(=CC=C1)O
• Uses: 1-?(3-?Hydroxyphenyl)?-?1-?propanone is a reactant used to synthesize tricyclic fused pyridines, a family of alkaloids with antimalarial activity.

Technology Process of 3'-Hydroxypropiophenone

There total 15 articles about 3'-Hydroxypropiophenone 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: 97.0%

α-ethyl-3-hydroxybenzyl alcohol (55789-02-1) → 1-(3-hydroxyphenyl)propan-1-one (13103-80-5)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 72h;

DOI:10.1021/jm00111a038

Reference yield: 94.0%

1-(3-methoxyphenyl)propan-1-one (37951-49-8) → 1-(3-hydroxyphenyl)propan-1-one (13103-80-5)

Guidance literature:

1-(3-methoxyphenyl)propan-1-one; With aluminum (III) chloride; In toluene; at 20 ℃; for 5h; Heating / reflux;

With hydrogenchloride; water; In toluene;

Reference yield: 63.0%

3-Hydroxyacetophenone (121-71-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 1-(3-hydroxyphenyl)propan-1-one (13103-80-5)

Guidance literature:

With ammonium peroxydisulfate; dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer; In water; at 110 ℃; for 3h; Inert atmosphere; Sealed tube;

DOI:10.1021/ol403040g

upstream raw materials:

1-(3-amino-phenyl)-propan-1-one

N,N-diethyl-3-hydroxybenzamide

ethylmagnesium bromide

β-dimethylamino-m-hydroxypropiophenone hydrochloride

Downstream raw materials:

3-n-propylphenol

1-<3-(naphth-2-ylmethoxy)phenyl>propan-1-one

2,4,6-Tribrom-3-propionyl-phenol

1-(5-hydroxy-2-nitrophenyl)propan-1-one