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1-Pyrenecarboxaldehyde

1-Pyrenecarboxaldehyde structure

CAS No:
3029-19-4
Formula:
C17H10O
Chemical Name:
1-Pyrenecarboxaldehyde
Synonyms:
1-Pyrenecarboxaldehyde;3-Pyrenecarboxaldehyde;3-Formylpyrene;3-Pyrenylaldehyde;3-Pyrenealdehyde;1-Formylpyrene;1-Pyrenealdehyde;1-Pyrenecarbaldehyde;NSC 30811
Categories:
Chemical Reagents > Organic Reagents

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Description

Dark Yellow Solid

1-Pyrenecarboxaldehyde Basic Attributes

Molecular Weight：

230.26

Exact Mass：

230.26

BRN：

1874889

EC Number：

221-196-6

UNII：

I9H95PVI1P

NSC Number：

30811

DSSTox ID：

DTXSID40184373

HScode：

2912299000

Characteristics

PSA：

17.1

XLogP3：

4.5

Appearance：

yellow

Density：

1.3±0.1 g/cm3

Melting Point：

126 °C

Boiling Point：

287 °C @ Press: 17 Torr

Flash Point：

294.6±6.3 °C

Refractive Index：

1.875

Water Solubility：

Insoluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

UR2450200

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-pyrenecarboxaldehyde

1-Pyrenecarboxaldehyde Use and Manufacturing

Methods of Manufacturing

General procedure: A round-bottom flask was charged with alcohol (2 mmol), CuOTf (0.1 mmol, 0.05 equiv) (S)-5-(pyrrolidin-2-yl)-1H-tetrazole (0.1 mmol, 0.05 equiv), TEMPO (0.1 mmol, 0.05 equiv), DMAP (0.15 mmol, 0.075 equiv) and CHGeneral procedure: using the complex 1 as catalyst in presence of a base following a general procedure. In a round-bottom flask, 1 mmol of substrate, 0.005mmol of catalyst (3.6mg) and 0.010 mmol of General procedure: The alcohol (2 mmol) was added to a solution of IBS (0.02 mmol, 0.01 eq), oxone (2.2 mmol, 1.1 equiv.) and 3 wtpercent CTAB solution (5 mL). The mixture was stirred at room temperature. The reaction was monitored by TLC. After completion, the solution was extracted with CH2Cl2 (3 × 10 mL). The combined organic phase was then filtered through a pad of silica gel and evaporated under vacuum to afford the desired product.To a stirred CH1-(2, 4-Dimethoxybenzoyl)pyrene (2a)

Uses

A novel base-discriminating fluorescent (BDF) compound: a highly polarity-sensitive fluorophore for SNP typing.

Computed Properties

Molecular Weight:230.26
XLogP3:4.5
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:230.073164938
Monoisotopic Mass:230.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:18
Complexity:337
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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