7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 1,4-dimethyl-, (endo,endo)-

Base Information

• Chemical Name: 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 1,4-dimethyl-, (endo,endo)-
• CAS No.: 109282-37-3
• Molecular Formula: C10H14 O5
• Molecular Weight: 214.218
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID90911075
• Mol file: 109282-37-3.mol

Synonyms:109282-37-3;7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 1,4-dimethyl-, (endo,endo)-;(1S,2R,3S,4R)-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 (endo,endo)-;(1R,4S,5R,6S)-1,4-DIMETHYL-7-OXABICYCLO[2.2.1]HEPTANE-5,6-DICARBOXYLIC ACID;DTXSID90911075;LS-98729;rel-(1R,2S,3R,4S)-1,4-Dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Chemical Property of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 1,4-dimethyl-, (endo,endo)-

Chemical Property:

• Vapor Pressure: 1.35E-07mmHg at 25°C
• Boiling Point: 402.3°Cat760mmHg
• PKA: 3.65±0.70(Predicted)
• 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:

99%min ^*data from raw 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
• Isomeric SMILES: C[C@]12CC[C@](O1)([C@@H]([C@@H]2C(=O)O)C(=O)O)C

Technology Process of 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 1,4-dimethyl-, (endo,endo)-

There total 12 articles about 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 1,4-dimethyl-, (endo,endo)- 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%

(1S,4R)-1,4-Dimethyl-7-oxa-bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylic acid → 1,4-dimethyl-7-oxa-norbornane-2endo,3endo-dicarboxylic acid (109282-37-3)

Guidance literature:

With hydrogen; palladium; In ethanol;

DOI:10.1246/bcsj.56.3020

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;

upstream raw materials:

1,4-dimethyl-7-oxa-norborn-2-ene-2,3-dicarboxylic acid

acetic acid

2,5-dimethylfuran

dimethyl 1,4-dimethyl-7-oxabicyclo<2.2.1>hept-2-ene-2,3-dicarboxylate

Downstream raw materials:

(+/-)-1,4-dimethyl-7-oxa-norbornane-2endo,3exo-dicarboxylic acid

(+/-)-Plinol B

Refernces