Trimethylphloroglucinol

Base Information

• Chemical Name: Trimethylphloroglucinol
• CAS No.: 4463-03-0
• Molecular Formula: C9H12O3
• Molecular Weight: 168.192
• Hs Code.: 2907299090
• DSSTox Substance ID: DTXSID80196258
• Nikkaji Number: J11.071J
• Wikidata: Q83069314
• Mol file: 4463-03-0.mol

Synonyms:1,3,5-trimethoxybenzene;trimethylphloroglucinol

Chemical Property of Trimethylphloroglucinol

Chemical Property:

• Vapor Pressure: 0.000107mmHg at 25°C
• Melting Point: 184-185 °C
• Boiling Point: 327.3°Cat760mmHg
• PKA: 10.09±0.33(Predicted)
• Flash Point: 162.6°C
• PSA: 27.69000
• Density: 1.259g/cm³
• LogP: 1.71240
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.078644241
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

98%, ^*data from raw suppliers

Trimethylphloroglucinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C(=C1O)C)O)C)O
• Uses: Phloroglucinol derivative used to reduce the pain intensity of irritable bowel syndrome. Antispasmodic agent. It is also used before the hysteroscopic surgery as a means to efficaciously soften the cervix. TriMethylphloroglucinol is used to reduce the pain intensity of irritable bowel syndrome,it is a kind of antispasmodic agent. It is also used before the hysteroscopic surgery as a means to efficaciously soften the cervix.

Technology Process of Trimethylphloroglucinol

There total 20 articles about Trimethylphloroglucinol 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: 55.3%

1,3,5-trimethyl-benzene (108-67-8) → 2,4,6-trimethyl-1,3,5-benzenetriol (4463-03-0)

Guidance literature:

With CuCr₂O₄; dihydrogen peroxide; In acetonitrile; at 75 ℃; for 12h;

DOI:10.1039/c4ra12652a

Reference yield: 51.0%

2,4,6-Trimethyl-1,3,5-benzoltriamin-trihydrochlorid (100306-38-5) → 2,4,6-trimethyl-1,3,5-benzenetriol (4463-03-0)

Guidance literature:

With water; for 72h; Heating;

Reference yield:

→ 2,4-dimethylbenzene-1,3,5-triol (4463-02-9) + 2,4,6-trimethyl-1,3,5-benzenetriol (4463-03-0)

Guidance literature:

With sodium hydroxide; zinc;

upstream raw materials:

formaldehyd

3,5-dihydroxyphenol

2,4,6-trihydroxytoluene

ethanol

Downstream raw materials:

3,6,8,8-tetramethyl-1,2,3,7,8,8a-hexahydro-3a,7-methano-azulen-4-one

1-azaadamantane

hexamethylcyclohexane-1,3,5-trione

3,5-diacetoxy-2,4,6-trimethylphenyl acetate

Refernces

• 1、 Risch, Nikolaus. "1-Azaadamantanes from Substituted Phloroglucinols". . p. 4849 - 4856. Retrieved 2007/10/02.