3-(5-methoxy-2,6-dimethyl-9-oxo-4,7-dihydro-3H-furo[3,4-h]chromen-2-yl)propanoic acid

Base Information

• Chemical Name: 3-(5-methoxy-2,6-dimethyl-9-oxo-4,7-dihydro-3H-furo[3,4-h]chromen-2-yl)propanoic acid
• CAS No.: 24243-38-7
• Molecular Formula: C₁₇H₂₀O₆
• Molecular Weight: 320.342
• NSC Number: 191325
• DSSTox Substance ID: DTXSID10966168
• Mol file: 24243-38-7.mol

Synonyms:24243-38-7;3-(5-methoxy-2,6-dimethyl-9-oxo-4,7-dihydro-3H-furo[3,4-h]chromen-2-yl)propanoic acid;5184-61-2;NSC191325;DTXSID10966168;NSC-191325;3-(5-Methoxy-2,6-dimethyl-9-oxo-3,4,7,9-tetrahydro-2H-furo[3,4-h][1]benzopyran-2-yl)propanoic acid

Chemical Property of 3-(5-methoxy-2,6-dimethyl-9-oxo-4,7-dihydro-3H-furo[3,4-h]chromen-2-yl)propanoic acid

Chemical Property:

• Vapor Pressure: 8.47E-15mmHg at 25°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 320.12598835
• Heavy Atom Count: 23
• Complexity: 492

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2COC(=O)C2=C3C(=C1OC)CCC(O3)(C)CCC(=O)O

Technology Process of 3-(5-methoxy-2,6-dimethyl-9-oxo-4,7-dihydro-3H-furo[3,4-h]chromen-2-yl)propanoic acid

There total 6 articles about 3-(5-methoxy-2,6-dimethyl-9-oxo-4,7-dihydro-3H-furo[3,4-h]chromen-2-yl)propanoic acid 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: 50.0%

7-hydroxy-5-methoxy-4-methyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)ethyl)isobenzofuran-1(3H)-one (26675-76-3) → mycochromanic acid (24243-38-7)

Guidance literature:

With sulfuric acid; In acetic acid; for 12h; Heating;

DOI:10.1016/S0040-4020(01)97969-4

Reference yield: 5.0%

mycophenolic acid (24280-93-1) → 7-hydroxy-5-methoxy-4-methyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)ethyl)isobenzofuran-1(3H)-one (26675-76-3) + mycochromanic acid (24243-38-7)

Guidance literature:

With sulfuric acid; In acetic acid; for 4h; Heating;

DOI:10.1016/S0040-4020(01)97969-4

Reference yield:

mycophenolic acid (24280-93-1) → mycochromanic acid (24243-38-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 68 percent / trifluoroacetic acid

2: 50 percent / cc. H₂SO₄ / acetic acid / 12 h / Heating

With sulfuric acid; In acetic acid; trifluoroacetic acid;

DOI:10.1016/S0040-4020(01)97969-4

upstream raw materials:

mycophenolic acid

7-hydroxy-5-methoxy-4-methyl-6-(2-(2-methyl-5-oxotetrahydrofuran-2-yl)ethyl)isobenzofuran-1(3H)-one

3-(5-hydroxy-2,6-dimethyl-9-oxo-3,4,7,9-tetrahydro-2H-furo[3,4-h]chromen-2-yl)-propionic acid

S-Adenosyl-L-methionine