4-tert-Butylbenzhydrol

Base Information

• Chemical Name: 4-tert-Butylbenzhydrol
• CAS No.: 22543-74-4
• Molecular Formula: C17H20O
• Molecular Weight: 240.345
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID80373789
• Nikkaji Number: J1.251.954K
• Mol file: 22543-74-4.mol

Synonyms:4-tert-Butylbenzhydrol;22543-74-4;(4-tert-butylphenyl)-phenylmethanol;(4-TERT-BUTYLPHENYL)(PHENYL)METHANOL;SCHEMBL477635;(4-t-butylphenyl)phenyl methanol;DTXSID80373789;1,2-BENZISOXAZOLE,5-BROMO-3-METHYL-

Chemical Property of 4-tert-Butylbenzhydrol

Chemical Property:

• PSA: 20.23000
• LogP: 4.06580
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 240.151415257
• Heavy Atom Count: 18
• Complexity: 239

Purity/Quality:

98%min ^*data from raw suppliers

4-tert-BUTYLBENZHYDROL ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-tert-Butylbenzhydrol

There total 16 articles about 4-tert-Butylbenzhydrol 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: 92.0%

4-tert-Butylbenzaldehyde (939-97-9) + phenylboronic acid (98-80-6) → 4-tert-butylbenzhydrol (22543-74-4)

Guidance literature:

With potassium tert-butylate; RhCl(COD)(1,3-dialkyl-3,4,5,6-tetrahydropyrimidin-2-ylidene); In 1,2-dimethoxyethane; water; at 80 ℃; for 4h;

DOI:10.1016/j.jorganchem.2005.07.085

Reference yield: 89.0%

1-(4-tert-butylphenyl)-2,5-diphenyl-1H-pyrrole + benzaldehyde (100-52-7) → 4-tert-butylbenzhydrol (22543-74-4)

Guidance literature:

1-(4-tert-butylphenyl)-2,5-diphenyl-1H-pyrrole; With lithium; In tetrahydrofuran; at 0 ℃; for 8h; Schlenk technique; Inert atmosphere;

benzaldehyde; In tetrahydrofuran; at 0 ℃; for 2h; Reagent/catalyst; Schlenk technique; Inert atmosphere;

DOI:10.1055/a-1482-2567

Reference yield: 79.0%

4-tert-Butylbenzaldehyde (939-97-9) + phenylmagnesium bromide (100-58-3) → 4-tert-butylbenzhydrol (22543-74-4)

Guidance literature:

In tetrahydrofuran; at 0 - 25 ℃; for 20.1667h;

upstream raw materials:

4-tert-butylphenyllithium

benzaldehyde

4-tert-Butylbenzaldehyde

phenylboronic acid

Downstream raw materials:

4-tert-butyl-benzhydryl chloride

Brom(4-tert-butylphenyl)phenylmethan

4-tert-butylbenzophenone

1,2-bis(4-tert-butylphenyl)-1,2-diphenylethane-1,2-diol