3-CARBOMETHOXY-4-HYDROXYPHENYLGLYOXAL HYDRATE

Base Information

• Chemical Name: 3-CARBOMETHOXY-4-HYDROXYPHENYLGLYOXAL HYDRATE
• CAS No.: 29754-58-3
• Molecular Formula: C10H10O6
• Molecular Weight: 226.186
• Hs Code.: 2918990090
• Mol file: 29754-58-3.mol

Synonyms:Benzoicacid, 5-(dihydroxyacetyl)-2-hydroxy-, methyl ester (9CI);Salicylic acid,5-(dihydroxyacetyl)-, methyl ester (8CI);Methyl2-hydroxy-5-(2,2-dihydroxy-1-oxoethyl)benzoate;Methyl5-(dihydroxyacetyl)salicylate;

Chemical Property of 3-CARBOMETHOXY-4-HYDROXYPHENYLGLYOXAL HYDRATE

Chemical Property:

• Vapor Pressure: 3.09E-08mmHg at 25°C
• Boiling Point: 432.2 °C at 760 mmHg
• PKA: 7.55±0.20(Predicted)
• Flash Point: 215.2 °C
• PSA: 89.90000
• Density: 1.481±0.06 g/cm3(Predicted)
• LogP: 0.49610

Purity/Quality:

98%min ^*data from raw suppliers

Methyl5-(Dihydroxyacetyl)salicylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-CARBOMETHOXY-4-HYDROXYPHENYLGLYOXAL HYDRATE

There total 3 articles about 3-CARBOMETHOXY-4-HYDROXYPHENYLGLYOXAL HYDRATE 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: 80.0%

estere metilico dell'acido 5-acetilsalicilico (16475-90-4) → α,α-dihydroxy-4-hydroxy-3-methoxycarbonyl-acetophenone (29754-58-3)

Guidance literature:

With water; hydrogen bromide; dimethyl sulfoxide; at 40 - 60 ℃; for 3h;

DOI:10.1016/j.tetlet.2020.152126

Reference yield: 59.0%

methyl acetylsalicylate (580-02-9) → α,α-dihydroxy-4-hydroxy-3-methoxycarbonyl-acetophenone (29754-58-3)

Guidance literature:

With hydrogen bromide; In water; dimethyl sulfoxide; at 55 ℃; for 24h;

Reference yield:

3-carbomethoxy-4-hydroxy-α-bromoacetophenone (36256-45-8) → α,α-dihydroxy-4-hydroxy-3-methoxycarbonyl-acetophenone (29754-58-3)

Guidance literature:

With water; dimethyl sulfoxide;

DOI:10.1021/jm00298a022

upstream raw materials:

3-carbomethoxy-4-hydroxy-α-bromoacetophenone

methyl acetylsalicylate

estere metilico dell'acido 5-acetilsalicilico

Downstream raw materials:

Salbutamol

4-{1-Hydroxy-2-[2-(4-methoxy-phenyl)-1,1-dimethyl-ethylamino]-ethyl}-2-hydroxymethyl-phenol

4-[2-(Adamantan-1-ylamino)-1-hydroxy-ethyl]-2-hydroxymethyl-phenol

2-Hydroxy-5-{1-hydroxy-2-[2-(4-methoxy-phenyl)-1,1-dimethyl-ethylamino]-ethyl}-benzoic acid methyl ester

Refernces

• 1、 Jacobsen, John R.,Choi, Seok Ki,Combs, Jesse,Fournier, Eric J.L.,Klein, Uwe,Pfeiffer, Juergen W.,Thomas, G. Roger,Yu, Cecile,Moran, Edmund J.. "A multivalent approach to the discovery of long-acting β2- adrenoceptor agonists for the treatment of asthma and COPD". scheme or table. p. 1213 - 1218. Retrieved 2012/03/11.
• 2、 -. "β2- adrenergic receptor agonists". Example 1. . Retrieved 2008/06/13.