6-Hydroxymethylbicyclo[2.2.1]heptan-2-one

Base Information

• Chemical Name: 6-Hydroxymethylbicyclo[2.2.1]heptan-2-one
• CAS No.: 81523-31-1
• Molecular Formula: C₈H₁₂O₂
• Molecular Weight: 140.182
• NSC Number: 134957
• DSSTox Substance ID: DTXSID40300117

Synonyms:6-Hydroxymethylbicyclo[2.2.1]heptan-2-one;81523-31-1;NSC134957;DTXSID40300117;VZRVMGCIHIZTIS-UHFFFAOYSA-N;NSC-134957

Chemical Property of 6-Hydroxymethylbicyclo[2.2.1]heptan-2-one

Chemical Property:

• Vapor Pressure: 0.0014mmHg at 25°C
• Boiling Point: 263.9°C at 760 mmHg
• Flash Point: 109.6°C
• Density: 1.165g/cm³
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 165

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC(C1CO)C(=O)C2

Technology Process of 6-Hydroxymethylbicyclo[2.2.1]heptan-2-one

There total 10 articles about 6-Hydroxymethylbicyclo[2.2.1]heptan-2-one 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: 56.0%

6-endo-hydroxymethylbicyclo<2.2.1>heptan-2-one dimethyl ketal (85507-45-5) → 6-endo-(Hydroxymethyl)bicyclo<2.2.1>heptan-2-one (81523-31-1)

Guidance literature:

With hydrogenchloride; In diethyl ether; for 17h;

DOI:10.1021/jo00159a013

Reference yield:

(+/-)-6-oxobicyclo<2.2.1>heptane-endo-2-carboxylic acid (42392-37-0) → 6-endo-(Hydroxymethyl)bicyclo<2.2.1>heptan-2-one (81523-31-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 78 percent / diethyl ether / Ambient temperature

2: 92 percent / p-toluenesulfonic acid / benzene / 6 h / Heating

3: 1.) lithium aluminum hydride, 2.) hydrochloric acid / 1.) ether, 4 h, 2.) room temperature, 3 h

With hydrogenchloride; lithium aluminium tetrahydride; toluene-4-sulfonic acid; In diethyl ether; benzene;

DOI:10.1021/ja00378a033

Reference yield:

5-(hydroxymethyl)bicyclo[2.2.1]hept-2-ene (15507-06-9) → 6-endo-(Hydroxymethyl)bicyclo<2.2.1>heptan-2-one (81523-31-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 73 percent / iodine, triethylamine / methanol / 48 h / Heating

2: 8 percent Chromat_. / diethyl ether / 4 h / Irradiation

3: 73 percent Chromat_. / sulfuric acid / 2.5 h / Ambient temperature

With sulfuric acid; iodine; triethylamine; In methanol; diethyl ether;

DOI:10.1021/ja00378a033

upstream raw materials:

6-endo-hydroxymethylbicyclo<2.2.1>heptan-2-one dimethyl ketal

endo-6-(hydroxymethyl)spiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]

6a-ethoxyhexahydro-3,5-methano-2H-cyclopentafuran

endo-6'-Carbomethoxyspiro<1,3-dioxolane-2,2'-bicyclo<2.2.1>heptane>

Downstream raw materials:

6-endo-<(Benzylthio)methyl>bicyclo<2.2.1>heptan-2-one

6-endo-(acetoxymethyl)-2-norbornanone

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