(4-Bromophenyl)(mesityl)methanol

Base Information

• Chemical Name: (4-Bromophenyl)(mesityl)methanol
• CAS No.: 29334-21-2
• Molecular Formula: C₁₆H₁₇BrO
• Molecular Weight: 305.214
• DSSTox Substance ID: DTXSID201238210
• Nikkaji Number: J563.843G
• Mol file: 29334-21-2.mol

Synonyms:(4-Bromophenyl)(mesityl)methanol;29334-21-2;4-Bromo-2',4',6'-trimethylbenzhydrol;DTXSID201238210;(4-bromophenyl)-(2,4,6-trimethylphenyl)methanol;(4-BROMOPHENYL)(2,4,6-TRIMETHYLPHENYL)METHANOL

Chemical Property of (4-Bromophenyl)(mesityl)methanol

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 304.04628
• Heavy Atom Count: 18
• Complexity: 248

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)C(C2=CC=C(C=C2)Br)O)C

Technology Process of (4-Bromophenyl)(mesityl)methanol

There total 3 articles about (4-Bromophenyl)(mesityl)methanol 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: 29.0%

4-Bromo-2',4',6'-trimethylbenzophenone (1146-83-4) → 2,4,6-Trimethylbenzophenon (954-16-5) + 4-Bromo-2',4',6'-trimethylbenzhydrol (29334-21-2) + 2,4,6-trimethylbenzhydrol (1517-60-8,1573-05-3,32189-55-2,21945-75-5)

Guidance literature:

With LDPA; In tetrahydrofuran; at 61 ℃; for 1h;

DOI:10.1021/jo00074a014

Reference yield: 28.7%

1-hexene (592-41-6,25067-06-5) + 4-Bromo-2',4',6'-trimethylbenzophenone (1146-83-4) → 2,4,6-Trimethylbenzophenon (954-16-5) + 4-(n-Hexyl)-2',4',6'-trimethylbenzophenone (64357-89-7) + 4-Bromo-2',4',6'-trimethylbenzhydrol (29334-21-2) + 2,4,6-trimethylbenzhydrol (1517-60-8,1573-05-3,32189-55-2,21945-75-5) + 4,4'-Bis(2,4,6-trimethylbenzoyl)biphenyl + 4-(n-Hexyl)-2',4',6'-trimethylbenzhydrol

Guidance literature:

With LDPA; In acetonitrile; at 61 ℃; for 24h; Product distribution; Mechanism; other solvent, temp., time; also in the presence of AIBN or DNB or DCPH; also without n-hexene; further bromophenyl mesityl ketones;

DOI:10.1021/jo00074a014

Reference yield:

→ 4-Bromo-2',4',6'-trimethylbenzhydrol (29334-21-2)

Guidance literature:

4-Brom-benzaldehyd, 1.) Mesityl-MgBr, Bzl.-Ae., 1-3 h kochen, 2.) Zers. m. NH4Cl;

upstream raw materials:

1-hexene

4-Bromo-2',4',6'-trimethylbenzophenone