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1012-72-2

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1012-72-2 Usage

Chemical Properties

white crystals or crystalline powder

Uses

Different sources of media describe the Uses of 1012-72-2 differently. You can refer to the following data:
1. 1,4-di-tert-butylbenzene (DTBB) is used as a crystallized form from several organic solvents to study the effect of solvents and crystallization conditions on its habit. It is also used as a solvent and an intermediate in the manufacture of other organic compounds for the finished products of such as curing agents, engineering plastics and cross-linking agents.
2. 1,4-di-tert-butylbenzene (DTBB) is crystallized from several organic solvents to study the effect of solvents and crystallization conditions on its habit.

Purification Methods

Crystallise it from Et2O or EtOH and dry it under vacuum over P2O5 at 55o. [Tanner et al. J Org Chem 52 2142 1987, Beilstein 5 II 344.]

Check Digit Verification of cas no

The CAS Registry Mumber 1012-72-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,1 and 2 respectively; the second part has 2 digits, 7 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1012-72:
(6*1)+(5*0)+(4*1)+(3*2)+(2*7)+(1*2)=32
32 % 10 = 2
So 1012-72-2 is a valid CAS Registry Number.
InChI:InChI=1/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3

1012-72-2 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Detail
  • Alfa Aesar

  • (A17146)  1,4-Di-tert-butylbenzene, 98%   

  • 1012-72-2

  • 5g

  • 501.0CNY

  • Detail
  • Alfa Aesar

  • (A17146)  1,4-Di-tert-butylbenzene, 98%   

  • 1012-72-2

  • 25g

  • 1878.0CNY

  • Detail
  • Aldrich

  • (113352)  1,4-Di-tert-butylbenzene  98%

  • 1012-72-2

  • 113352-5G

  • 668.07CNY

  • Detail
  • Aldrich

  • (113352)  1,4-Di-tert-butylbenzene  98%

  • 1012-72-2

  • 113352-25G

  • 2,459.34CNY

  • Detail

1012-72-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,4-Di-tert-butylbenzene

1.2 Other means of identification

Product number -
Other names p-di-tert-butyl-benzen

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1012-72-2 SDS

1012-72-2Relevant articles and documents

-

Potts,Carpenter

, p. 663 (1939)

-

van Tamelen et al.

, p. 6092,6099 (1971)

-

Malishev

, p. 883 (1935)

-

-

Kelly,Lee

, p. 757,759 (1955)

-

-

Craig

, p. 195,196 (1935)

-

-

Hennion,Kurtz

, p. 1001 (1943)

-

Myhre et al.

, p. 3425 (1966)

Franck,Yanagi

, p. 5814 (1968)

-

Grosse,Ipatieff

, (1936)

-

Radical aromatic substitution with benzene chromiumtricarbonyl

Byers, Jeffrey H.,Neale, Nathan R.,Bradford Alexander,Gangemi, Stephen P.

, p. 7903 - 7905 (2007)

Radical aromatic substitution of tert-butyl groups for hydrogen on simple arene chromiumtricarbonyl complexes was accomplished. Preexisting tert-butyl groups and methoxy groups directed incoming radicals primarily to the meta-position, and methoxy groups diminished the rate of substitution by roughly tenfold.

TRANSBUTYLATION OF AROMATIC HYDROCARBONS BY 3,6-DI-tert-BUTYLPYROCATECHOL IN PRESENCE OF SULFURIC ACID

Vol'eva, V. B.,Novikova, I. A.,Belostotskaya, I. S.,Komissarova, N. L.,Ershov, V. V.

, p. 1748 - 1750 (1981)

-

Bryce-Smith,Owen

, p. 3319,3323 (1960)

Dual Nickel/Photoredox-Catalyzed Deaminative Cross-Coupling of Sterically Hindered Primary Amines

Dorsheimer, Julia R.,Ashley, Melissa A.,Rovis, Tomislav

supporting information, p. 19294 - 19299 (2021/11/23)

We report a method to activate α-3° amines for deaminative arylation via condensation with an electron-rich aldehyde and merge this reactivity with nickel metallaphotoredox to generate benzylic quaternary centers, a common motif in pharmaceuticals and natural products. The reaction is accelerated by added ammonium salts. Evidence is provided in support of two roles for the additive: inhibition of nickel black formation and acceleration of the overall reaction rate. We demonstrate a robust scope of amine and haloarene coupling partners and show an expedited synthesis of ALK2 inhibitors.

Silylium-arene adducts: An experimental and theoretical study

Ibad, Muhammad Farooq,Langer, Peter,Schulz, Axel,Villinger, Alexander

supporting information; experimental part, p. 21016 - 21027 (2012/03/07)

The solvent-coordinated [Me3Si·arene][B(C 6F5)4] salts (arene = benzene, toluene, ethylbenzene, n-propylbenzene, isopropylbenzene, o-xylene, m-xylene, p-xylene, 1,2,3-trimethylbenzene, 1,2,4-trimethylbenzene, 1,3,5-trimethylbenzene) are prepared and fully characterized. As an interesting decomposition product the formation of bissilylated fluoronium ion [Me3Si-F-SiMe 3]+ was observed and even cocrystallized with [Me 3Si·arene][B(C6F5)4] (arene = benzene and toluene). Investigation of the degradation of [Me 3Si·arene][B(C6F5)4] reveals the formation of fluoronium salt [Me3Si-F-SiMe3][B(C 6F5)4], B(C6F5) 3, and a reactive "C6F4" species which could be trapped with CS2. Upon addition of CS2, the formation of a formal S-heterocyclic carbene adduct, C6F 4CS2-B(C6F5)3, was observed. The structure and bonding of substituted [Me3Si· arene][B(C6F5)4] with arene = R nC6H6-n (R = H, Me, Et, Pr, and Bu; n = 0-6) is discussed on the basis of experimental and theoretical data. X-ray data of [Me3Si·arene][B(C6F5)4] salts reveal nonplanar arene species with significant cation...anion interactions. As shown by different theoretical approaches (charge transfer, partial charges, trimethylsilyl affinity values) stabilizing inductive effects occur; however, the magnitude of such effects differs depending on the degree of substitution and the substitution pattern.

Nickel-catalyzed cross-coupling of aryl bromides with tertiary grignard reagents utilizing donor-functionalized N-heterocyclic carbenes (NHCs)

Lohre, Claudia,Droege, Thomas,Wang, Congyang,Glorius, Frank

supporting information; experimental part, p. 6052 - 6055 (2011/06/25)

Metal-catalyzed cross-coupling reactions are among the most important transformations in organic synthesis, allowing the efficient construction of complex structures from simpler, readily available building blocks.Many applications in large and small-scale synthesis can be found in different areas such as agrochemicals, pharmaceuticals and supramolecular chemistry. Whereas the coupling of sp2-hybridized carbon atoms in either reaction partner is well established, the use of CACHTUNGTRENUNG(sp3)-hybridized substrates presents some challenges. Catalytic cross-coupling of sterically hindered tertiary alkyl substrates is especially difficult, generally resulting in low yields, and thus, only few reports exist.[27] A big challenge in this field is not only to get the required level of reactivity, but also to overcome competing pathways like β-hydride elimination, hydrodehalogenation or isomerization

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