2H-Pyran-2,6(3H)-dione, 4-methyl-

Base Information

• Chemical Name: 2H-Pyran-2,6(3H)-dione, 4-methyl-
• CAS No.: 67116-19-2
• Molecular Formula: C6H6 O3
• Molecular Weight: 126.112
• NSC Number: 176171
• UNII: W1SNI7394H
• DSSTox Substance ID: DTXSID60306419
• Wikidata: Q82053519
• Mol file: 67116-19-2.mol

Synonyms:67116-19-2;2H-Pyran-2,6(3H)-dione, 4-methyl-;4-methyl-2H-Pyran-2,6(3H)-dione;4-methyl-3H-pyran-2,6-dione;NSC-176171;3-Methylglutaconic anhydride;6-Hydroxy-4-methyl-2-pyrone;W1SNI7394H;Glutaconic anhydride, 3-methyl-;2H-Pyran-2-one, 6-hydroxy-4-methyl-;4-Methyl-3,6-dihydro-2h-pyran-2,6-dione;NSC176171;UNII-W1SNI7394H;SCHEMBL287041;DTXSID60306419;1,2-Pyrone, 6-hydroxy-4-methyl-;CS-0253572;FT-0715759;EN300-6473210

Chemical Property of 2H-Pyran-2,6(3H)-dione, 4-methyl-

Chemical Property:

• Vapor Pressure: 0.0231mmHg at 25°C
• Melting Point: 86 °C
• Boiling Point: 249.3°C at 760 mmHg
• Flash Point: 116.9°C
• PSA: 43.37000
• Density: 1.239g/cm³
• LogP: 0.40620
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.031694049
• Heavy Atom Count: 9
• Complexity: 191

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2H-Pyran-2,6(3H)-dione, 4-methyl-

There total 22 articles about 2H-Pyran-2,6(3H)-dione, 4-methyl- 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: 100.0%

3-acetoxy-3-methylpentane-1,5-dioic acid anhydride (87894-65-3) → 3-methyl-pentenedioic acid anhydride (67116-19-2)

Guidance literature:

In xylene; for 20h; Heating;

Reference yield: 89.0%

carbon dioxide (124-38-9,18923-20-1) + perfluorophenyl 3-methylbut-2-enoate → 3-methyl-pentenedioic acid anhydride (67116-19-2)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetonitrile; at 20 ℃; for 18h; under 7500.75 Torr; Autoclave; Glovebox; Schlenk technique;

DOI:10.1021/acs.joc.0c01717

Reference yield: 85.0%

3-methylpent-2-enedioic acid (372-42-9,15649-56-6,5746-90-7) → 3-methyl-pentenedioic acid anhydride (67116-19-2)

Guidance literature:

With acetic anhydride; at 70 ℃; for 0.5h;

DOI:10.1016/S0040-4020(01)91537-6

upstream raw materials:

3-acetoxy-3-methylpentane-1,5-dioic acid anhydride

(Z)-3-methyl-2-pentenedioic acid

(E)-3-methylpent-2-enedioic acid

3-methylpent-2-enedioic acid

Downstream raw materials:

4-methyl-3-[(Ξ)-3-methyl-5t-(2,6,6-trimethyl-cyclohex-1-enyl)-penta-2t,4-dienylidene]-3H-pyran-2,6-dione

3-acetyl-4-methyl-2H-pyran-2,6(3H)-dione

3-methyl-4-p-tolylcarbamoyl-crotonic acid

(Z)-4-(4-chlorophenylcarbamoyl)-3-methylbut-2-enoic acid