8-Oxabicyclo[3.2.1]octane-3-carboxylic acid

Base Information

• Chemical Name: 8-Oxabicyclo[3.2.1]octane-3-carboxylic acid
• CAS No.: 856176-37-9
• Molecular Formula: C₈H₁₂O₃
• Molecular Weight: 156.181
• Hs Code.: 2932999099
• European Community (EC) Number: 842-105-1
• NSC Number: 119485
• DSSTox Substance ID: DTXSID00297938
• Mol file: 856176-37-9.mol

Synonyms:8-oxabicyclo[3.2.1]octane-3-carboxylic acid;856176-37-9;(1R,5S)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid;NSC119485;SCHEMBL13735624;DTXSID00297938;AMY34021;MFCD20646350;AKOS016009003;NSC-119485;PB38645;SB21645;AS-34898;CS-0049933;EN300-736819;A863510

Chemical Property of 8-Oxabicyclo[3.2.1]octane-3-carboxylic acid

Chemical Property:

• Boiling Point: 303.0±35.0 °C(Predicted)
• PKA: 4.41±0.20(Predicted)
• PSA: 46.53000
• Density: 1.237±0.06 g/cm3(Predicted)
• LogP: 1.02860
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.078644241
• Heavy Atom Count: 11
• Complexity: 166

Purity/Quality:

97% ^*data from raw suppliers

8-Oxabicyclo[3.2.1]octane-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2CC(CC1O2)C(=O)O

Technology Process of 8-Oxabicyclo[3.2.1]octane-3-carboxylic acid

There total 4 articles about 8-Oxabicyclo[3.2.1]octane-3-carboxylic 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:

cis-2,5-bis(hydroxymethyl)-tetrahydrofuran ditosylate (1472-00-0) → 8-oxabicyclo[3.2.1]octane-3-carboxylic acid (856176-37-9)

Guidance literature:

Multi-step reaction with 2 steps

1: tetrahydrofuran / 110 °C

2: aq. NaOH solution / Ansaeuern der Reaktionsloesung mit wss. Salzsaeure

With tetrahydrofuran; sodium hydroxide;

DOI:10.1021/ja01582a042

Reference yield:

8-oxa-bicyclo[3.2.1]octane-3,3-dicarboxylic acid diethyl ester (246543-72-6) → 8-oxabicyclo[3.2.1]octane-3-carboxylic acid (856176-37-9)

Guidance literature:

With sodium hydroxide; stereoisomer(ic) of mp: 135 degree; Ansaeuern der Reaktionsloesung mit wss. Salzsaeure_.;

DOI:10.1021/ja01582a042

Reference yield:

8-oxa-bicyclo[3.2.1]octane-3,3-dicarboxylic acid diethyl ester (246543-72-6) → 8-oxabicyclo[3.2.1]octane-3-carboxylic acid (856176-37-9)

Guidance literature:

With sodium hydroxide; stereoisomer(ic) of mp: 103 degree; Ansaeuern der Reaktionsloesung mit wss. Salzsaeure_.;

DOI:10.1021/ja01582a042

upstream raw materials:

8-oxa-bicyclo[3.2.1]octane-3,3-dicarboxylic acid diethyl ester

cis-2,5-bis(hydroxymethyl)-tetrahydrofuran ditosylate

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