3,5-Di-tert-butylbenzyl Alcohol

Base Information

• Chemical Name: 3,5-Di-tert-butylbenzyl Alcohol
• CAS No.: 77387-57-6
• Molecular Formula: C15H24O
• Molecular Weight: 220.355
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID40506016
• Nikkaji Number: J501.116G
• Wikidata: Q82361556
• Mol file: 77387-57-6.mol

Synonyms:3,5-Di-tert-butylbenzyl Alcohol;77387-57-6;(3,5-di-tert-butylphenyl)methanol;(3,5-ditert-butylphenyl)methanol;MFCD03844785;3,5-Di-tert-butylbenzylAlcohol;Benzenemethanol, 3,5-bis(1,1-dimethylethyl)-;SCHEMBL962215;3,5-Di-t-butylbenzyl alcohol;3, 5-di-t-butylbenzyl alcohol;DTXSID40506016;VHYHRNYPVNFGNR-UHFFFAOYSA-N;CDA38757;(3,5-ditert-butyl-phenyl)-methanol;AKOS027380247;AS-19322;SY054340;CS-0060880;D2652;N10439;A902471

Chemical Property of 3,5-Di-tert-butylbenzyl Alcohol

Chemical Property:

• Vapor Pressure: 0.0109mmHg at 25°C
• Melting Point: 62 °C
• Refractive Index: 1.499
• Boiling Point: 251.1 °C at 760 mmHg
• PKA: 14?+-.0.10(Predicted)
• Flash Point: 109 °C
• PSA: 20.23000
• Density: 0.931 g/cm³
• LogP: 3.77390
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 220.182715385
• Heavy Atom Count: 16
• Complexity: 197

Purity/Quality:

98%,99%, ^*data from raw suppliers

3,5-Di-tert-butylbenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1)CO)C(C)(C)C

Technology Process of 3,5-Di-tert-butylbenzyl Alcohol

There total 11 articles about 3,5-Di-tert-butylbenzyl Alcohol 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: 97.0%

3,5-di-tert-butylbenzoic acid (16225-26-6) → 3,5-bis(1,1-dimethylethyl)benzenemethanol (77387-57-6)

Guidance literature:

3,5-di-tert-butylbenzoic acid; With borane; In tetrahydrofuran; for 48h; Heating;

With hydrogenchloride; In methanol; water; for 0.5h; Further stages.; Heating;

DOI:10.1021/ol016107o

Reference yield: 95.0%

3,5-Di-tert-butylbenzaldehyde (17610-00-3) → 3,5-bis(1,1-dimethylethyl)benzenemethanol (77387-57-6)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 0 ℃; for 2h;

DOI:10.1039/c9cc00437h

Reference yield: 95.0%

methyl 3,5-di(tert-butyl)benzoate (64277-87-8) → 3,5-bis(1,1-dimethylethyl)benzenemethanol (77387-57-6)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 - 20 ℃;

DOI:10.1002/anie.200353606

upstream raw materials:

3,5-di-tert-butylbenzoyl chloride

3,5-di-tert-butylbenzoic acid

methyl 3,5-di(tert-butyl)benzoate

1,2,2,6,6-pentamethylpiperidine

Downstream raw materials:

3,5-di-tert-butyl-benzoyl chloride

(17β)-17-[3,5-bis(tert-butyl)benzyl]-estra-1(10),2,4-triene-3,17-diol

C₃₉H₆₀O₂Si

3,5-di-tert-butylbenzyl bromide

Refernces

• 1、 Call, Arnau,Casadevall, Carla,Acu?a-Parés, Ferran,Casitas, Alicia,Lloret-Fillol, Julio. "Dual cobalt-copper light-driven catalytic reduction of aldehydes and aromatic ketones in aqueous media". . p. 4739 - 4749. Retrieved 2017/07/10.
• 2、 Lipshutz,Hageman,Fennewald,Linstadt,Slack,Voigtritter. "Selective oxidations of activated alcohols in water at room temperature". supporting information. p. 11378 - 11381. Retrieved 2014/11/08.