2-Tert-butylbenzaldehyde

Base Information

• Chemical Name: 2-Tert-butylbenzaldehyde
• CAS No.: 16358-79-5
• Molecular Formula: C11H14 O
• Molecular Weight: 162.232
• Hs Code.: 2912299000
• European Community (EC) Number: 841-282-2
• DSSTox Substance ID: DTXSID40525641
• Nikkaji Number: J635.358D
• Wikidata: Q72502357
• Mol file: 16358-79-5.mol

Synonyms:2-TERT-BUTYLBENZALDEHYDE;16358-79-5;2-(tert-butyl)benzaldehyde;Benzaldehyde, 2-(1,1-dimethylethyl)-;Benzaldehyde, 2-(1,1-dimethylethyl)- (9CI);t-butylbenzaldehyde;2-t-butylbenzaldehyde;SCHEMBL536090;DTXSID40525641;AKOS017515361;CS-0128184;EN300-754714;G66946;A902482;Z1255429474

Chemical Property of 2-Tert-butylbenzaldehyde

Chemical Property:

• Boiling Point: 243℃
• Flash Point: 98℃
• PSA: 17.07000
• Density: 0.966
• LogP: 2.79660
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 162.104465066
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

98%Min ^*data from raw suppliers

2-(tert-Butyl)benzaldehyde 95+% ^*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=C1C=O

Technology Process of 2-Tert-butylbenzaldehyde

There total 12 articles about 2-Tert-butylbenzaldehyde 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%

2-tert-butylbenzyl bromide (1005751-00-7) → 2-tert-butylbenzaldehyde (16358-79-5)

Guidance literature:

With sodium hydrogencarbonate; In dimethyl sulfoxide; at 100 ℃; for 0.5h;

Reference yield: 95.0%

(tert-butylphenyl)methyl alcohol (21190-35-2) → 2-tert-butylbenzaldehyde (16358-79-5)

Guidance literature:

With poly(1,4-phenylene-2,5-pyridinedicarboxyamide) supported periodic acid; In acetonitrile; for 1.25h; Reflux;

DOI:10.1016/j.cclet.2011.07.022

Reference yield: 89.0%

1-(tert-butyl)-2-iodobenzene (62171-59-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-tert-butylbenzaldehyde (16358-79-5)

Guidance literature:

1-(tert-butyl)-2-iodobenzene; With tert.-butyl lithium; In tetrahydrofuran; at -78 ℃; for 0.5h;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1002/chem.200400023

upstream raw materials:

6-tert-Butyl-8,9-dioxa-bicyclo[5.2.0]nona-2,4-diene

2-(2-tert-Butyl-benzylamino)-2-methyl-propan-1-ol

1-(tert-butyl)-2-iodobenzene

N,N-dimethyl-formamide

Downstream raw materials:

4-(2-tert-butyl-benzyl)-6-methyl-2H-pyridazin-3-one

6-(2-tert-butyl-benzyl)-2H-pyridazin-3-one

4-(2-tert-butyl-benzyl)-2H-pyridazin-3-one

(5Z)-5-{[1-(2-tert-butylbenzyl)piperidin-4-yl]methylidene}-4-(prop-2-yn-1-ylamino)-1,3-thiazol-2(5H)-one

Refernces

• 1、 -. "POLYCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE POLYCYCLIC COMPOUND OR THE COMPOSITION". Page/Page column 370. . Retrieved 2020/11/03.
• 2、 Pourali, Ali Reza,Tabaean, Mehrosadat,Nazifi, S. Mohamad Reza. "A novel and selective oxidation of benzylic alcohols with polymer-supported periodic acid under mild aprotic conditions". experimental part. p. 21 - 24. Retrieved 2012/04/10.