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5374-06-1,MFCD00044513
Catalog No.:AA003KH6

5374-06-1 | 4,6-Di-tert-butylbenzene-1,3-diol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$14.00   $10.00
- +
5g
95%
in stock  
$56.00   $39.00
- +
25g
98%
in stock  
$156.00   $110.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003KH6
Chemical Name:
4,6-Di-tert-butylbenzene-1,3-diol
CAS Number:
5374-06-1
Molecular Formula:
C14H22O2
Molecular Weight:
222.3233
MDL Number:
MFCD00044513
SMILES:
CC(c1cc(c(cc1O)O)C(C)(C)C)(C)C
Properties
Properties
 
Form:
Solid  
MP:
120-125℃  
Storage:
Light sensitive;Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
210  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
4.6  

Downstream Synthesis Route

[1]Horner,L.;Simons,G.[PhosphorusandSulfurandtheRelatedElements,1983,vol.14,p.189-210]

[2]CurrentPatentAssignee:GUANGDONGOXOCHEM-CN112159313,2021,ALocationinpatent:Paragraph0027-0030

[3]CurrentPatentAssignee:SHELLPLC-US2051473,1933,A

[4]CurrentPatentAssignee:FUJIFILMHOLDINGSCORP.-WO2005/92847,2005,A1Locationinpatent:Page/Pagecolumn26

[1]Tchitchibabine[1935,p.951,965][ChemischesZentralblatt,1937,vol.108,#I,p.3627]Tchitchibabine[ComptesRendusHebdomadairesdesSeancesdel'AcademiedesSciences,1934,vol.198,p.1239][BulletindelaSocieteChimiquedeFrance,1935,vol.<5>2,p.497,515]

[2]Marakatti,VijaykumarS.;Marappa,Shivanna;Gaigneaux,EricM.[NewJournalofChemistry,2019,vol.43,#20,p.7733-7742]

[3]Marakatti,VijaykumarS.;Gaigneaux,EricM.[CatalysisCommunications,2021,vol.152]

[1]Halfpenny,P.J.etal.[Tetrahedron,1976,vol.32,p.1873-1879]

[1]Korneev,S.M.;Nikolaev,V.A.[JournalofOrganicChemistryUSSR(EnglishTranslation),1990,vol.26,#8,p.1493-1495][ZhurnalOrganicheskoiKhimii,1990,vol.26,#8,p.1724-1728]

[2]CurrentPatentAssignee:SOUTHERNUNIVERSITYOFSCIENCEANDTECHNOLOGYOFCHINA-CN111747827,2020,ALocationinpatent:Paragraph0106-0110

[3]CurrentPatentAssignee:SOUTHERNUNIVERSITYOFSCIENCEANDTECHNOLOGYOFCHINA-CN111848683,2020,ALocationinpatent:Paragraph0096-0100

[4]CurrentPatentAssignee:HUIZHOUCATELISTECH-CN111909207,2020,ALocationinpatent:Paragraph0026-0029

[5]CurrentPatentAssignee:HUIZHOUKAITELISITECH-CN112341494,2021,ALocationinpatent:Paragraph0029-0032

[6]Akagi,Shuichiro;Yasukawa,Yusuke;Kobayashi,Kazuhiro;Konishi,Hisatoshi[Tetrahedron,2009,vol.65,#48,p.9983-9988]

[7]Seboek,Peter;Timar,Tibor;Jaszberenyi,J.Csaba;Jekoe,Jozsef[ActaChimicaHungarica,1989,vol.126,#4,p.471-486]

[8]Edimecheva;Ostrovskaya;Polozov;Shadyro[RussianJournalofGeneralChemistry,2005,vol.75,#4,p.593-596]

[9]Halfpenny,P.J.etal.[Tetrahedron,1976,vol.32,p.1873-1879]

[10]Ling,Ke-Qing;Lee,Younghee;Macikenas,Dainius;Protasiewicz,JohnD.;Sayre,LawrenceM.[JournalofOrganicChemistry,2003,vol.68,#4,p.1358-1366]

[11]Petersen,RileyJ.;Rozeboom,BrettJ.;Oburn,ShalisaM.;Blythe,NolanJ.;Rathje,TannerL.;Luna,JavierA.;Kibby,StevenK.;O'Brien,EmilyA.;Rohr,KayleighG.;Carpenter,JoshuaR.;Sanders,TaylorL.;Johnson,AndrewM.;Hutchins,KristinM.;Shaw,ScottK.;MacGillivray,LeonardR.;Wackerly,JayWm.[Chemistry-AEuropeanJournal,2020,vol.26,#9,p.1928-1930]

5374-06-1    61575-88-0   
trans-4,6-di-tert-butylcyclohexane-1,3-dione 

[1]Nikolaev,V.A.;Korneev,S.M.;Terent'eva,I.V.;Korobistyna,I.K.[JournalofOrganicChemistryUSSR(EnglishTranslation),1991,vol.27,#10,p.1845-1858][ZhurnalOrganicheskoiKhimii,1991,vol.27,#10,p.2085-2100]

[2]Nikolaev,V.A.;Korneev,S.M.;Terent'eva,I.V.;Korobistyna,I.K.[JournalofOrganicChemistryUSSR(EnglishTranslation),1991,vol.27,#10,p.1845-1858][ZhurnalOrganicheskoiKhimii,1991,vol.27,#10,p.2085-2100]

Literature

Title: Discovery of novel SERCA inhibitors by virtual screening of a large compound library.

Journal: European journal of medicinal chemistry 20110501

Title: Copper(II)-mediated autoxidation of tert-butylresorcinols.

Journal: The Journal of organic chemistry 20030221

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Tags:5374-06-1 Molecular Formula|5374-06-1 MDL|5374-06-1 SMILES|5374-06-1 4,6-Di-tert-butylbenzene-1,3-diol