1,2-Benzenediol, 4-methyl-, diacetate

Base Information

• Chemical Name: 1,2-Benzenediol, 4-methyl-, diacetate
• CAS No.: 13287-30-4
• Molecular Formula: C11H12O4
• Molecular Weight: 208.214
• DSSTox Substance ID: DTXSID60157822
• Nikkaji Number: J510.881K
• Wikidata: Q83025982
• Mol file: 13287-30-4.mol

Synonyms:13287-30-4;1,2-Benzenediol, 4-methyl-, diacetate;4-Methyl-1,2-benzenediol diacetate;4-METHYLCATECHOL DIACETATE;4-methyl-1,2-phenylene diacetate;Diacethyl-4-methylcatechol;4-Methylcatechol, diacetate;4-methylpyrocatechol diacetate;SCHEMBL8350024;DTXSID60157822;AOPKLCBVSXXATF-UHFFFAOYSA-N

Chemical Property of 1,2-Benzenediol, 4-methyl-, diacetate

Chemical Property:

• Vapor Pressure: 0.00148mmHg at 25°C
• Boiling Point: 295.9°Cat760mmHg
• Flash Point: 144.1°C
• Density: 1.15g/cm³
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 249

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C

Technology Process of 1,2-Benzenediol, 4-methyl-, diacetate

There total 9 articles about 1,2-Benzenediol, 4-methyl-, diacetate 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: 98.0%

acetic anhydride (108-24-7) + 4-methyl-1,2-dihydroxybenzene (452-86-8) → 4-methyl-1,2-phenylene diacetate (13287-30-4)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); at 20 ℃; for 0.0833333h;

DOI:10.1002/cmdc.201300255

Reference yield: 31.0%

acetic anhydride (108-24-7) + 4a,9b-(4-Methylphenylenedioxy)-1,2,3,4,4a,9b-hexahydrocarbazole → 4-methyl-1,2-phenylene diacetate (13287-30-4) + N-Acetyl-4a,9b-(4-methylphenylenedioxy)-1,2,3,4,4a,9b-hexahydrocarbazole

Guidance literature:

With pyridine; for 1h; Heating;

Reference yield:

4-methylbenzo-1,2-quinone (3131-54-2) → 4-methyl-1,2-phenylene diacetate (13287-30-4)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / CHCl₃ / Ambient temperature

2: 42 percent / pyridine / 1 h / Heating

With pyridine; acetic acid; In chloroform;

upstream raw materials:

acetic anhydride

4-methyl-1,2-dihydroxybenzene

2-ethoxy-4-methylphenol

acetyl chloride

Downstream raw materials:

4-(bromomethyl)-1,2-phenylene diacetate

(+/-)-ethyl-(2'-hydroxy-3'-methoxy-5'-methylphenyl)butanoate