1-(4-Bromophenyl)adamantane

Base Information

• Chemical Name: 1-(4-Bromophenyl)adamantane
• CAS No.: 2245-43-4
• Molecular Formula: C16H19Br
• Molecular Weight: 291.231
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID30347793
• Nikkaji Number: J2.375.550E
• Wikidata: Q72449170
• Mol file: 2245-43-4.mol

Synonyms:1-(4-Bromophenyl)adamantane;2245-43-4;MFCD01882238;4-Adamantyl-1-bromobenzene;4-(Adamantyl-1)bromobenzene;4-(1-adamantyl)-bromobenzene;SCHEMBL2709413;1-(4-Bromophenyl)adamantane #;DTXSID30347793;BCP15073;STL367632;AKOS000479231;AKOS004121003;SY307717;FT-0699315;F87626;1-(4-bromophenyl)tricyclo[3.3.1.1~3,7~]decane

Chemical Property of 1-(4-Bromophenyl)adamantane

Chemical Property:

• Melting Point: 102-103℃ (methanol )
• Boiling Point: 351.0±21.0 °C(Predicted)
• PSA: 0.00000
• Density: 1.357±0.06 g/cm3(Predicted)
• LogP: 4.91690
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 290.06701
• Heavy Atom Count: 17
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

1-(4-Bromophenyl)adamantane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)Br

Technology Process of 1-(4-Bromophenyl)adamantane

There total 23 articles about 1-(4-Bromophenyl)adamantane 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: 99.0%

1-phenyladamantane (780-68-7) → 4-(1-Adamantyl)bromobenzene (2245-43-4)

Guidance literature:

With bromine; In tetrachloromethane; regioselective reaction;

DOI:10.1016/j.tet.2013.02.042

Reference yield: 75.0%

1-Adamantyl bromide (768-90-1) + bromobenzene (108-86-1,52753-63-6) → 4-(1-Adamantyl)bromobenzene (2245-43-4)

Guidance literature:

With sulfuric acid; In 1,2-dichloro-ethane; for 10h; Reflux;

Reference yield: 70.0%

4,4,5,5-tetramethyl-2-[4-(adamant-1-yl)phenyl]-2H-1,3,2-dioxaborolane → 4-(1-Adamantyl)bromobenzene (2245-43-4)

Guidance literature:

With copper(ll) bromide; In ethanol; water; for 7h; Reflux;

DOI:10.2174/1570178613666160104233856

upstream raw materials:

4-(tricyclo[3.3.1.1^3,7]dec-1-yl)aniline

1-Adamantyl bromide

(4-bromophenyl)magnesium bromide

bromobenzene

Downstream raw materials:

3-[4-(1-adamantyl)phenyl]propionic acid

4-(adamantan-1-yl)benzaldehyde