2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one

Modify Date: 2024-01-06 21:49:31

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Structure
2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one structure
Common Name 2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
CAS Number 121502-05-4 Molecular Weight 312.44900
Density 1.104g/cm3 Boiling Point 394.6ºC at 760mmHg
Molecular Formula C20H28N2O Melting Point N/A
MSDS N/A Flash Point 108.7ºC

 Names

Name 2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.104g/cm3
Boiling Point 394.6ºC at 760mmHg
Molecular Formula C20H28N2O
Molecular Weight 312.44900
Flash Point 108.7ºC
Exact Mass 312.22000
PSA 48.65000
LogP 4.16690
Vapour Pressure 1.95E-06mmHg at 25°C
Index of Refraction 1.614

 Synthetic Route

~%

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Structure

2,6-ditert-buty...

CAS#:121502-05-4

Literature: WARNER-LAMBERT COMPANY Patent: EP245825 B1, 1991 ;

~62%

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Structure

2,6-ditert-buty...

CAS#:121502-05-4

Literature: WARNER-LAMBERT COMPANY Patent: EP245825 B1, 1991 ;

~59%

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Structure

2,6-ditert-buty...

CAS#:121502-05-4

Literature: Flynn; Belliotti; Boctor; Connor; Kostlan; Nies; Ortwine; Schrier; Sircar Journal of Medicinal Chemistry, 1991 , vol. 34, # 2 p. 518 - 525

~%

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Structure

2,6-ditert-buty...

CAS#:121502-05-4

Literature: Flynn; Belliotti; Boctor; Connor; Kostlan; Nies; Ortwine; Schrier; Sircar Journal of Medicinal Chemistry, 1991 , vol. 34, # 2 p. 518 - 525

~%

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Structure

2,6-ditert-buty...

CAS#:121502-05-4

Literature: Flynn; Belliotti; Boctor; Connor; Kostlan; Nies; Ortwine; Schrier; Sircar Journal of Medicinal Chemistry, 1991 , vol. 34, # 2 p. 518 - 525

~%

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Structure

2,6-ditert-buty...

CAS#:121502-05-4

Literature: Flynn; Belliotti; Boctor; Connor; Kostlan; Nies; Ortwine; Schrier; Sircar Journal of Medicinal Chemistry, 1991 , vol. 34, # 2 p. 518 - 525

~%

2,6-ditert-butyl-4-[(2E)-2-(5-methyl-1,2-dihydropyrazol-3-ylidene)ethylidene]cyclohexa-2,5-dien-1-one Structure

2,6-ditert-buty...

CAS#:121502-05-4

Literature: Flynn; Belliotti; Boctor; Connor; Kostlan; Nies; Ortwine; Schrier; Sircar Journal of Medicinal Chemistry, 1991 , vol. 34, # 2 p. 518 - 525

 Synonyms

Phenol,2,6-bis(1,1-dimethylethyl)-4-(2-(5-methyl-1H-pyrazol-3-yl)ethenyl)-,(E)
2,6-Bis(1,1-dimethylethyl)-4-(2-(5-methyl-1H-pyrazol-3-yl)ethenyl)phenol
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