Ethanol,2-[[4-[2-(4-hexyl-5-nitro-2-thiazolyl)diazenyl]phenyl](4,4,4-trifluorobutyl)amino]-

HCID 178860052CAS 583-37-9
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Basic information

Standard SMILES
CCCCCCc1nc(N=Nc2ccc(N(CCO)CCCC(F)(F)F)cc2)sc1[N+](=O)[O-]
InChIKey
UWNZFTKBUFLQIZ-UHFFFAOYSA-N
Molecular formula
C21H28F3N5O3S
Average molar mass
487.5 g/mol

Names & identifiers

Preferred name
Ethanol,2-[[4-[2-(4-hexyl-5-nitro-2-thiazolyl)diazenyl]phenyl](4,4,4-trifluorobutyl)amino]-
IUPAC
2-[4-[(4-hexyl-5-nitro-1,3-thiazol-2-yl)diazenyl]-N-(4,4,4-trifluorobutyl)anilino]ethanol
English name
6,7-Dihydro-5H-cyclopenta[b]pyridine
Molecular formula
C21H28F3N5O3S
Molecular weight
487.54

Names & synonyms

583-37-9Ethanol,2-[[4-[2-(4-hexyl-5-nitro-2-thiazolyl)diazenyl]phenyl](4,4,4-trifluorobutyl)amino]-Ethanol, 2-[[4-[(4-hexyl-5-nitro-2-thiazolyl)azo]phenyl](4,4,4-trifluorobutyl)amino]-Ethanol, 2-[p-[(4-hexyl-5-nitro-2-thiazolyl)azo]-N-(4,4,4-trifluorobutyl)anilino]-(E)-2-((4-((4-Hexyl-5-nitrothiazol-2-yl)diazenyl)phenyl)(4,4,4-trifluorobutyl)amino)ethan-1-olG77283Cyclopenta[b]pyridine2,3-CYCLOPENTENOPYRIDINECyclopenta[b]pyridine, 98%+6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDINEEthanol, 2-[[4-[2-(4-hexyl-5-nitro-2-thiazolyl)diazenyl]phenyl](4,4,4-trifluorobutyl)amino]-

Database identifiers

CAS
583-37-9

Properties

Computed structural properties

XLogP
7.3
Topological polar surface area
135 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
13
Heavy atoms
33

Physicochemical properties

Boiling point
590.4 · 590.4±60.0 °C(Predicted)
Density
1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Oil
pka
14.49 · 14.49±0.10(Predicted)

Chemistry & industry

Applications

Uses2,3-Cyclopentenopyridine is used as reactant/reagent for ruthenium-mediated dual catalytic reactions of isoquinoline via C-H activation and dearomatization for isoquinolone.

Upstream & downstream products

Downstream products

Suppliers25 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]

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