1,4-Dimethylendothall

Base Information

• Chemical Name: 1,4-Dimethylendothall
• CAS No.: 109282-27-1
• Molecular Formula: C₁₀H₁₄O₅
• Molecular Weight: 214.218
• Nikkaji Number: J2.793.576A
• ChEMBL ID: CHEMBL7787
• Mol file: 109282-27-1.mol

Synonyms:1,4-Dimethylendothall;109282-27-1;1,4-Dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic Acid;1,4-Dimethyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid (exo,exo)-;7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 1,4-dimethyl-, (exo,exo)-;CHEMBL7787;SCHEMBL940918;HSCI1_000091;1,4-Dimethyl-7-oxabicyclo [2.2.1.];LS-98730;J-002259

Chemical Property of 1,4-Dimethylendothall

Chemical Property:

• Vapor Pressure: 1.35E-07mmHg at 25°C
• Boiling Point: 402.3°Cat760mmHg
• Flash Point: 161.6°C
• PSA: 83.83000
• Density: 1.425g/cm³
• LogP: 0.72940
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 214.08412354
• Heavy Atom Count: 15
• Complexity: 307

Purity/Quality:

98%Min ^*data from raw suppliers

1,4-Dimethylendothall ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(O1)(C(C2C(=O)O)C(=O)O)C
• Uses: 1,4-Dimethylendothall is an endothall analog with no PP2A inhibition activity.

Technology Process of 1,4-Dimethylendothall

There total 6 articles about 1,4-Dimethylendothall 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:

1,4-dimethyl-7-oxa-norbornane-2endo,3endo-dicarboxylic acid dimethyl ester (116245-73-9) → (+/-)-1,4-dimethyl-7-oxa-norbornane-2endo,3exo-dicarboxylic acid (88941-22-4,109282-27-1,109282-37-3,129783-69-3)

Guidance literature:

With potassium hydroxide;

Reference yield:

1,4-dimethyl-7-oxa-norbornane-2exo,3exo-dicarboxylic acid dimethyl ester (54087-16-0) → (+/-)-1,4-dimethyl-7-oxa-norbornane-2endo,3exo-dicarboxylic acid (88941-22-4,109282-27-1,109282-37-3,129783-69-3)

Guidance literature:

With potassium hydroxide;

Reference yield:

2,5-dimethylfuran (625-86-5) → (+/-)-1,4-dimethyl-7-oxa-norbornane-2endo,3exo-dicarboxylic acid (88941-22-4,109282-27-1,109282-37-3,129783-69-3)

Guidance literature:

Multi-step reaction with 4 steps

1: Hydrieren des Reaktionsprodukts an Palladium/Calciumcarbonat in Aethylacetat und Erwaermen mit methanol. Kalilauge

2: platinum; acetic acid / Hydrogenation

3: diethyl ether

4: methanol. KOH-solution

With potassium hydroxide; diethyl ether; acetic acid; platinum;

upstream raw materials:

1,4-dimethyl-7-oxa-norbornane-2endo,3endo-dicarboxylic acid dimethyl ester

1,4-dimethyl-7-oxa-norbornane-2exo,3exo-dicarboxylic acid dimethyl ester

2,5-dimethylfuran

(+/-)-(1S,2R,3S,4R)-3-(methoxycarbonyl)-1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid