Retinylidene dimedone

Base Information

• Chemical Name: Retinylidene dimedone
• CAS No.: 70424-15-6
• Molecular Formula: C28H38O2
• Molecular Weight: 406.609
• Nikkaji Number: J571.797C
• ChEMBL ID: CHEMBL167469
• Mol file: 70424-15-6.mol

Synonyms:2-retinylidene-5,5-dimethyl-1,3-cyclohexanedione;retinylidene dimedone

Chemical Property of Retinylidene dimedone

Chemical Property:

• Vapor Pressure: 8.68E-13mmHg at 25°C
• Boiling Point: 565°Cat760mmHg
• Flash Point: 206.5°C
• PSA: 34.14000
• Density: 1.026g/cm³
• LogP: 7.40260
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 406.287180451
• Heavy Atom Count: 30
• Complexity: 858

Purity/Quality:

99% ^*data from raw suppliers

RETINYLIDENE DIMEDONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=C2C(=O)CC(CC2=O)(C)C)C)C
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C2C(=O)CC(CC2=O)(C)C)/C)/C

Technology Process of Retinylidene dimedone

There total 1 articles about Retinylidene dimedone 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: 85.0%

all-trans-Retinal (116-31-4) + dimedone (126-81-8) → all-trans-retinylidene dimedone (70424-15-6)

Guidance literature:

With piperidine; In toluene; for 18h; Ambient temperature;

DOI:10.1021/jm00181a019

Reference yield: 91.0%

all-trans-retinylidene dimedone (70424-15-6) → all-trans-Retinal (116-31-4) + dimedone (126-81-8)

Guidance literature:

With methylamine; In water; benzene; for 0.25h; Product distribution; Mechanism; Ambient temperature; retro-Knoevenagel fragmentation; variation of reaction conditions;

DOI:10.1002/hlca.19800630607

Reference yield: 45.0%

all-trans-retinylidene dimedone (70424-15-6) → 2-(5',6'-epoxy-5',6'-dihydroretinylidene)-dimedone

Guidance literature:

With monoperoxyphthalic acid; In diethyl ether; for 2h; Ambient temperature;

DOI:10.1002/hlca.19800630606

upstream raw materials:

all-trans-Retinal

dimedone

Downstream raw materials:

all-trans-Retinal

dimedone

5,6-epoxy-5,6-dihydroretinal