Congressane

Base Information

• Chemical Name: Congressane
• CAS No.: 2292-79-7
• Deprecated CAS: 36499-39-5,77079-58-4,150301-85-2
• Molecular Formula: C14H20
• Molecular Weight: 188.313
• Hs Code.: 29021990
• European Community (EC) Number: 850-415-3
• UNII: KYM5H16I3I
• DSSTox Substance ID: DTXSID60177464
• Nikkaji Number: J9.491I,J2.480.002D
• Wikipedia: Diamantane
• Wikidata: Q5270645
• Metabolomics Workbench ID: 55808
• Mol file: 2292-79-7.mol

Synonyms:Adamantane;Diamantane

Chemical Property of Congressane

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.012mmHg at 25°C
• Melting Point: 236-237°
• Refractive Index: 1.572
• Boiling Point: 269.5 °C at 760 mmHg
• Flash Point: 98.1 °C
• PSA: 0.00000
• Density: 1.092 g/cm³
• LogP: 3.32460
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 188.156500638
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

99% ^*data from raw suppliers

Diamantane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3C4C1C5CC(C4)CC3C5C2

Technology Process of Congressane

There total 59 articles about Congressane 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%

3-methyldiamantane (30545-28-9) → diamantane (2292-79-7)

Guidance literature:

With hydrogen; aluminum oxide; nickel; at 215 ℃; for 5.5h; under 760 Torr;

Reference yield: 99.0%

binor-S → diamantane (2292-79-7)

Guidance literature:

With sodium tetrahydroborate; trifluorormethanesulfonic acid; In 1,1,2-Trichloro-1,2,2-trifluoroethane; at -78 - 20 ℃; for 18h;

DOI:10.1021/jo00267a042

Reference yield: 94.0%

(+/-)-D3-tritwistane (75500-94-6,77122-04-4,116347-56-9) → diamantane (2292-79-7)

Guidance literature:

With aluminum tri-bromide; In carbon disulfide; for 5h; Ambient temperature;

DOI:10.1021/jo00324a018

upstream raw materials:

1,1,2,2-tetrachloroethylene

diamantane-3-spiro-3'-diazirine

1,1-Dichloroethylene

4-hydroxydiamantane

Downstream raw materials:

4-hydroxydiamantane

diamantan-1-ol

4-nitrodiamantane

diamantane-1,6-diol

Refernces

• 1、 Aminov,Khusnutdinov. "Synthesis of diamantane via skeletal isomerization of hydrogenated cyclohepta-1,3,5-triene dimers in ionic liquid [Et3NH]+ [Al2Cl7]–". . p. 1881 - 1883. Retrieved 2017.
• 2、 Nakazaki, Masao,Naemura, Koichiro,Chikamatsu, Hiroaki,Iwasaki, Masami,Hashimoto, Masaki. "Synthesis and Absolute Configuration of Optically Active D3-Tritwistane, the Gyrochiral Prototype of "Twist" Diamond". . p. 2300 - 2306. Retrieved 1981.
• 3、 Gund,Schleyer. "". . p. 1959,1961. Retrieved 1973.
• 4、 Aminov, Rishat I.,Khusnutdinov, Ravil I.. "A new method for the synthesis of diamantane by hydroisomerization of binor-S on treatment with sulfuric acid". . p. 2534 - 2539. Retrieved 2021/06/25.