3-CHLOROISONICOTINALDEHYDE
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3-CHLOROISONICOTINALDEHYDE
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CAS No:
72990-37-5
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Formula:
C6H4ClNO
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Chemical Name:
3-CHLOROISONICOTINALDEHYDE
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Synonyms:
3-CHLOROPYRIDINE-4-CARBOXALDEHYDE;3-CHLOROISONICOTINALDEHYDE;3-CHLORO-4-FORMYLPYRIDINE;3-CHLORO-4-PYRIDINECARBOXALDEHYDE;3-Chloro-4-pyridinecarbaldehyde;3-chloro-2-forMylpyridine-4-carboxylic acid;3-Chloro-pyridine -4-carbaldehyde/3-chloroisonicotinaldehyde;3-Chloronocotincarboxaldehyde
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CAS No:
Characteristics
30
0.9
White to yellow Crystalline Powder
1.3±0.1 g/cm3
58-62 °C(lit.)
93°C/6mmHg(lit.)
89.8±21.8 °C
1.593
Safety Information
IRRITANT
NONH for all modes of transport
3
22-36/38-43-36/37/38
37/39-36-26
Xn
P280-P305 + P351 + P338
H302-H315-H317-H319
|Warning|H302 (97.56%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 41 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-CHLOROISONICOTINALDEHYDE Use and Manufacturing
Preparatio example 411·(3) Add 5.3 g (37.5 mmol) of Step 1 - Synthesis of[S-(l-benzenesulfonyl-lH-pyrrolo[2, 3-b]pyridin-3-ylmethyl)-pyridin-2-ylj- (4-chloro-pyridin-3-ylmethyl)-amine (602) :; [0251] To 5-(l-benzenesulfonyl-lH-pyrrolo[2, 3-b]pyridin-3-ylmethyl)-pyridin-2-ylamine (600, 120.0 mg, 0.33 mmol, prepared as described in Example 29, Scheme 185) in acetonitrile (10.0 niL) were added 3-chloro-pyridine-4-carbaldehyde (554, 51.3 mg, 0.36 mmol), trifluoroacetic acid (0.30 niL, 0.0039 mol) and triethylsilane (0.60 niL, 0.0038 mol). The reaction was heated to reflux overnight, then poured into aqueous potassium carbonate and extracted with ethyl acetate, The organic layer was dried over anhydrous sodium sulfate and filtered. The filtrate was concentrated and purified by silica gel column chromatography eluting with 30% to 100% ethyl acetate in hexane to give the desired compound (602, 80 rug, 49.6%). MS [M+H'f - 490.2.
Computed Properties
Molecular Weight:141.55
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:140.9981414
Monoisotopic Mass:140.9981414
Topological Polar Surface Area:30
Heavy Atom Count:9
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
