prop-2-enyl 2-[[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Modify Date: 2024-09-17 20:07:17

prop-2-enyl 2-[[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate structure	Common Name	prop-2-enyl 2-[[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
	CAS Number	6998-11-4	Molecular Weight	713.66300
	Density	1.42g/cm3	Boiling Point	804.2ºC at 760mmHg
	Molecular Formula	C₃₅H₂₉BrN₄O₄S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	440.1ºC

Name	prop-2-enyl 2-[[3-(3-bromo-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-7-methyl-5-(4-methylsulfanylphenyl)-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Synonym	More Synonyms

Density	1.42g/cm3
Boiling Point	804.2ºC at 760mmHg
Molecular Formula	C₃₅H₂₉BrN₄O₄S₂
Molecular Weight	713.66300
Flash Point	440.1ºC
Exact Mass	712.08100
PSA	141.25000
LogP	5.74570
Index of Refraction	1.681
InChIKey	BYEPQAKTTYEOHJ-UHFFFAOYSA-N
SMILES	C=CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(-c4ccccc4)nc3-c3ccc(OC)c(Br)c3)c(=O)n2C1c1ccc(SC)cc1

Octanoic acid

CAS#:124-07-2

4-Bromoaniline

CAS#:106-40-1

~63%

prop-2-enyl 2-[...

CAS#:6998-11-4

Literature: Orliac, Aurelie; Gomez Pardo, Domingo; Bombrun, Agnes; Cossy, Janine Organic Letters, 2013 , vol. 15, # 4 p. 902 - 905

Precursor 2
CAS#:124-07-2 Octanoic acid CAS#:106-40-1 4-Bromoaniline
DownStream 0

N-(4-bromophenyl)octanamide

1-Brom-4-octanoylamino-benzol

Caprylsaeure-(4-brom-anilid)

Octansaeure-(4-brom-anilid)

octanoic acid-(4-bromo-anilide)

Names