1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone

Base Information

• Chemical Name: 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone
• CAS No.: 747414-17-1
• Molecular Formula: C11H14 O3
• Molecular Weight: 194.23
• Hs Code.: 2914501900
• Mol file: 747414-17-1.mol

Synonyms:1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone

Chemical Property of 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone

Chemical Property:

• Boiling Point: 342℃
• PKA: 8.49±0.23(Predicted)
• Flash Point: 175℃
• PSA: 57.53000
• Density: 1.156
• LogP: 2.42380
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

98% ^*data from raw suppliers

1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone acts as a reagent in the synthesis of 3,5-disubstituted-4-alkynylisoxozales as HSP90 inhibitors against various human cancer cell lines.

Technology Process of 1-(2,4-Dihydroxy-5-isopropylphenyl)ethanone

There total 14 articles about 1-(2,4-Dihydroxy-5-isopropylphenyl)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: 99.4%

2,4-dihydroxy-1-isopropylbenzene (23504-03-2) + acetic acid (64-19-7,77671-22-8) → 1-(2,4-dihydroxy-5-isopropylphenyl)ethan-1-one (747414-17-1)

Guidance literature:

With boron trifluoride; Inert atmosphere; Reflux;

Reference yield: 99.0%

2,4-diacetylphloroglucinol (2161-86-6) + 2,4-dihydroxy-1-isopropylbenzene (23504-03-2) → 1-(2,4-dihydroxy-5-isopropylphenyl)ethan-1-one (747414-17-1)

Guidance literature:

With acyltransferase from bacterium Pseudomonas sp.YGJ₃; In aq. phosphate buffer; dimethyl sulfoxide; at 35 ℃; for 18h; pH=7.5; regioselective reaction; Enzymatic reaction;

DOI:10.1002/anie.201703270

Reference yield: 88.0%

2,4-dihydroxy-1-isopropylbenzene (23504-03-2) + sodium acetate (127-09-3) → 1-(2,4-dihydroxy-5-isopropylphenyl)ethan-1-one (747414-17-1)

Guidance literature:

2,4-dihydroxy-1-isopropylbenzene; With boron trifluoride diethyl etherate; acetic acid; at 90 ℃; for 16h;

sodium acetate; In water; at 20 ℃; for 4h;

upstream raw materials:

2,4-dihydroxy-1-isopropylbenzene

acetic acid

acetonitrile

2',4'-dihydroxy-4-acetophenone

Refernces

• 1、 -. "HEAT SHOCK PROTEIN 90 INHIBITORS". . . Retrieved 2018/10/19.
• 2、 -. "4,5-diphenyl isoxazole derivative as well as preparation method and application thereof". Paragraph 0097; 0098; 0099; 0100. . Retrieved 2017/06/02.