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Cyclopenta[b]pyridine

Cyclopenta[b]pyridine structure

CAS No:
533-37-9
Formula:
C8H9N
Chemical Name:
Cyclopenta[b]pyridine
Synonyms:
5H-1-Pyrindene, 6,7-dihydro-;5H-1-Pyrindine,6,7-dihydro-;6,7-Dihydro-5H-[1]pyrindine;Pyrindan;6,7-DIHYDRO-5H-CYCLOPANTA[B]PYRIDINE;2,3-Cyclopentenoopyridine;2,3-Cyclopentenopyridine ,97%;2,3-Cyclopentenopyridine,99+%
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

Description

CLEAR COLORLESS TO BROWNISH LIQUID

The structural properties of 2,3-cyclopentenopyridine using spectroscopic and computational techniques have been studied. 2,3-Cyclopentenopyridine is present in the side chain of cefpirome (HR 810), a new cephalosporin.

Cyclopenta[b]pyridine Basic Attributes

Molecular Weight：

119.16

Exact Mass：

119.16

EC Number：

208-564-1

UNII：

18Z19A103W

DSSTox ID：

DTXSID70201446

Color/Form：

Colorless to Red to Green

HScode：

29333990

Characteristics

PSA：

12.9

XLogP3：

1.5

Appearance：

clear colorless to brownish liquid

Density：

1.018 g/mL at 25 °C (lit.)

Melting Point：

117 °C

Boiling Point：

87-88 °C/11 mmHg (lit.)

Flash Point：

153 °F

Refractive Index：

n20/D1.544(lit.)

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

PKA：

6.19±0.20(Predicted)

Critical Temperature & Pressure：

Sealed in dry,Room Temperature

Safety Information

Packing level：

I; II; III

Hazard category：

6.1

wgk germany：

hazard class code：

safety instructions：

26-36

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

36/37/38

Caution Statement：

P261; P305 + P351 + P338

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,3-cyclopentenopyridine

Cyclopenta[b]pyridine Use and Manufacturing

Used as an intermediate for the drug cefpirome

2,3-Cyclopentenopyridine is used as reactant/reagent for ruthenium-mediated dual catalytic reactions of isoquinoline via C-H activation and dearomatization for isoquinolone.

Computed Properties

Molecular Weight:119.16
XLogP3:1.5
Hydrogen Bond Acceptor Count:1
Exact Mass:119.073499291
Monoisotopic Mass:119.073499291
Topological Polar Surface Area:12.9
Heavy Atom Count:9
Complexity:101
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

54664-50-5

292638-84-7

107-18-6

Recommended Suppliers of Cyclopenta[b]pyridine

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2,3-Cyclopentenopyridine

CAS No.: 533-37-9

Content: 99.00%

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