Adamantane-2-carbaldehyde

Base Information

• Chemical Name: Adamantane-2-carbaldehyde
• CAS No.: 39750-93-1
• Molecular Formula: C11H16O
• Molecular Weight: 164.247
• Hs Code.: 2912299000
• European Community (EC) Number: 818-189-0
• DSSTox Substance ID: DTXSID00499531
• Wikidata: Q72436522
• Mol file: 39750-93-1.mol

Synonyms:Adamantane-2-carbaldehyde;39750-93-1;2-adamantanecarbaldehyde;Tricyclo[3.3.1.13,7]decane-2-carboxaldehyde;2-Formyladamantane;2-adamantane carbaldehyde;SCHEMBL353989;DTXSID00499531;VGBBJZYOAOCLLS-UHFFFAOYSA-N;MFCD22201211;AKOS015917854;CS-0100820;EN300-270335;I10949;Tricyclo[3.3.1.1~3,7~]decane-2-carbaldehyde;A873575

Chemical Property of Adamantane-2-carbaldehyde

Chemical Property:

• Melting Point: 158-160℃
• Boiling Point: 247.5±9.0℃ (760 Torr)
• Flash Point: 85.5±11.2℃
• PSA: 17.07000
• Density: 1.124±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.25760
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

Adamantane-2-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)C3C=O
• Uses: Adamantane-2-carbaldehyde can be used to treat tuberculosis.

Technology Process of Adamantane-2-carbaldehyde

There total 26 articles about Adamantane-2-carbaldehyde 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: 95.0%

2-Adamantan-2-yl-benzo[1,3]dithiole (110166-53-5) → adamantane-2-carbaldehyde (39750-93-1)

Guidance literature:

With tetrafluoroboric acid; mercury(II) oxide; In tetrahydrofuran; for 0.25h; Heating;

DOI:10.1055/s-1987-27857

Reference yield: 94.0%

N,N-dimethyladamantane-2-carboxamide → adamantane-2-carbaldehyde (39750-93-1)

Guidance literature:

With sodium hydride; sodium iodide; In tetrahydrofuran; at 40 ℃; chemoselective reaction;

DOI:10.1002/hlca.201800049

Reference yield: 82.0%

diethylmethyl<(tricyclo<3.3.1.13,7>decylidene)methoxy>silane (84454-51-3) → adamantane-2-carbaldehyde (39750-93-1)

Guidance literature:

With potassium fluoride; In methanol; at 25 ℃; for 1h;

DOI:10.1021/ja00283a035

upstream raw materials:

2-adamantanespiroxirane

vinyl magnesium bromide

2-methylideneadamantane

((1r,3r,5r,7r)-adamantan-2-yl)methanol

Downstream raw materials:

2-(N-Methylanilinomethylene)adamantane

adamantane-2-carboxylic acid

adamantan-2-yl-(4-fluoro-phenyl)-methanol

2-(adamant-2-ylmethyl)aminodiphenylamine