Strigol deriv

Base Information

• Chemical Name: Strigol deriv
• CAS No.: 79298-09-2
• Molecular Formula: C₁₃H₁₂O₅
• Molecular Weight: 248.235
• NSC Number: 284621
• DSSTox Substance ID: DTXSID20418507

Synonyms:NSC284621;79298-09-2;STRIGOL DERIV;Strigol derivative;DTXSID20418507;NSC-284621

Chemical Property of Strigol deriv

Chemical Property:

• Vapor Pressure: 9.43E-13mmHg at 25°C
• Boiling Point: 564.2°Cat760mmHg
• Flash Point: 256.8°C
• Density: 1.36g/cm³
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 248.06847348
• Heavy Atom Count: 18
• Complexity: 500

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(OC1=O)OC=C2C3CC=CC3OC2=O
• Isomeric SMILES: CC1=CC(OC1=O)O/C=C\2/C3CC=CC3OC2=O

Technology Process of Strigol deriv

There total 7 articles about Strigol deriv 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:

3-methylfuran-2-carboxylic acid (4412-96-8) → 2-methyl-4-(2-oxo-2,3,3a,6a-tetrahydro-4H-cyclopentafuran-3-ylidenemethoxy)but-2-en-4-olide (79298-09-2,77035-56-4)

Guidance literature:

Multi-step reaction with 3 steps

1: O₂ / Irradiation

2: SOCl₂, anhyd. Na₂CO₃ / bis-(2-methoxy-ethyl) ether / 1.) 40 deg C, 3 h, 2.) 80 deg C, 1 h

3: 1,2-dimethoxy-ethane / 16 h / 5 °C

With thionyl chloride; oxygen; sodium carbonate; In 1,2-dimethoxyethane; diethylene glycol dimethyl ether;

DOI:10.1039/P19810001734

Reference yield:

5-Hydroxy-3-methyl-5H-furan-2-one (931-23-7) → 2-methyl-4-(2-oxo-2,3,3a,6a-tetrahydro-4H-cyclopentafuran-3-ylidenemethoxy)but-2-en-4-olide (79298-09-2,77035-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂, anhyd. Na₂CO₃ / bis-(2-methoxy-ethyl) ether / 1.) 40 deg C, 3 h, 2.) 80 deg C, 1 h

2: 1,2-dimethoxy-ethane / 16 h / 5 °C

With thionyl chloride; sodium carbonate; In 1,2-dimethoxyethane; diethylene glycol dimethyl ether;

DOI:10.1039/P19810001734

Reference yield:

3-methyl-5H-furan-2-one (22122-36-7) → 2-methyl-4-(2-oxo-2,3,3a,6a-tetrahydro-4H-cyclopentafuran-3-ylidenemethoxy)but-2-en-4-olide (79298-09-2,77035-56-4)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 1 h / Heating

2: 1,2-dimethoxy-ethane / 16 h / 5 °C

With thionyl chloride; In 1,2-dimethoxyethane;

DOI:10.1039/P19810001734

upstream raw materials:

2-chloro-4-methyl-2H-furan-5-one

3-methylfuran-2-carboxylic acid

5-Hydroxy-3-methyl-5H-furan-2-one

3-methyl-5H-furan-2-one

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