ChemicalBook--->CAS DataBase List--->72990-37-5

72990-37-5

72990-37-5 Structure

72990-37-5 Structure
IdentificationBack Directory
[Name]

3-CHLOROISONICOTINALDEHYDE
[CAS]

72990-37-5
[Synonyms]

3-CHLORO-4-FORMYLPYRIDINE
3-CHLOROISONICOTINALDEHYDE
3-Chloronocotincarboxaldehyde
3-Chloro-4-pyridinecarbaldehyde
3-CHLOROPYRIDINE-4-CARBOXALDEHYDE
3-CHLORO-4-PYRIDINECARBOXALDEHYDE
4-Pyridinecarboxaldehyde, 3-chloro-
3-Chloro-4-pyridinecarboxaldehyde 97%
3-Chloro-4-pyridinecarboxaldehyde >
3-chloro-2-forMylpyridine-4-carboxylic acid
3-CHLOROISONICOTINALDEHYDE ISO 9001:2015 REACH
3-Chloro-pyridine -4-carbaldehyde/3-chloroisonicotinaldehyde
[Molecular Formula]

C6H4ClNO
[MDL Number]

MFCD06200712
[MOL File]

72990-37-5.mol
[Molecular Weight]

141.56
Chemical PropertiesBack Directory
[Melting point ]

58-62 °C(lit.)
[Boiling point ]

93°C/6mmHg(lit.)
[density ]

1.332±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

soluble in Methanol
[form ]

Crystalline Powder
[pka]

0.97±0.18(Predicted)
[color ]

White to yellow
[Sensitive ]

Air Sensitive
[InChI]

1S/C6H4ClNO/c7-6-3-8-2-1-5(6)4-9/h1-4H
[InChIKey]

ZVGDKOQPJCOCLI-UHFFFAOYSA-N
[SMILES]

[H]C(=O)c1ccncc1Cl
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/38-43-36/37/38
[Safety Statements ]

37/39-36-26
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29333990
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

off-white to light yellow solid
[Synthesis]

3-Chloropyridine

626-60-8

N,N-Dimethylformamide

68-12-2

3-CHLOROISONICOTINALDEHYDE

72990-37-5

The general procedure for the synthesis of 3-chloropyridine-4-carbaldehyde from 3-chloropyridine and N,N-dimethylformamide is as follows: 1. add toluene to a 250 mL round-bottomed flask and cool to -78°C. 2. LDA (11 mL, 22.02 mmol) was slowly added dropwise to a solution of 3-chloropyridine (8.80 mmol) in THF (20 mL) at -78°C and stirred at the same temperature for 1 to 2 hours. 3. DMF (822 μL, 10.56 mmol) was added, then the reaction mixture was brought to room temperature and stirred for 1 hour. 4. Ethyl acetate (EA) and water were added to the reaction mixture and the organic and aqueous layers were separated. 5. The organic solvent was further extracted with the aqueous phase and the organic extracts were combined. 6. The combined organic extracts were dried with anhydrous sodium sulfate (Na2SO4), filtered and concentrated in vacuum. 7. The crude product was purified by silica gel column chromatography to afford 3-chloropyridine-4-carbaldehyde (0.33 g, 30-65% yield). 8. The structure of the product was determined by NMR. 8. The structure of the product was confirmed by NMR (400 MHz, CDCl3): δ 7.73 (d, J = 8.0 Hz, 1H), 8.71 (d, J = 4.0 Hz, 1H), 8.81 (s, 1H), 10.52 (s, 1H).

[References]

[1] Heterocycles, 2006, vol. 67, # 2, p. 543 - 547
[2] Patent: WO2015/88271, 2015, A1. Location in patent: Page/Page column 208
Spectrum DetailBack Directory
[Spectrum Detail]

3-CHLOROISONICOTINALDEHYDE(72990-37-5)1HNMR
3-CHLOROISONICOTINALDEHYDE(72990-37-5)1HNMR
3-CHLOROISONICOTINALDEHYDE(72990-37-5)1HNMR
72990-37-5 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Meryer (Shanghai) Chemical Technology Co., Ltd.  
Telephone: 4006356688 18621169109
Website: www.x-labseek.com/
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: JinYan Chemicals(ShangHai) Co.,Ltd.  
Telephone: 13817811078
Website: www.jingyan-chemical.com
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Hunan Hui Bai Shi Biotechnology Co., Ltd.  
Telephone: 0731-85526065 13308475853
Website: http://www.hnhbsj.com/
Company Name: ShangHai YuanYe Biotechnology Co., Ltd.  
Telephone: 18916372613
Website: www.shyuanye.com
Company Name: Shanghai civi chemical technology co.,Ltd  
Telephone: 86-21-34053660
Website: www.labgogo.com
Company Name: Thermo Fisher Scientific  
Telephone: 800-810-5118
Website: www.thermo.com.cn
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: +86-21-60341587
Website: www.topbiochem.com
Company Name: SuZhou ShiYa Biopharmaceuticals, Inc.  
Telephone: 86(512)5235 8471 17715136450
Website: www.shiyabiopharm.com
Company Name: Candia Thamtech Company Limited  
Telephone: 0371-86615086 18203638366 0371-86159066 13526786601
Website: www.chemicalbook.com/ShowSupplierProductsList15771/0_EN.htm
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Nanjing Raise Pharmatech Co., Ltd.  
Telephone: 025-58649566 15005191108
Website: http://www.njboyuanchem.com
Company Name: Shanghai Yolne Chemical Co., Ltd.  
Telephone: 021-62960152
Website: http://www.yolne.com
Tags:72990-37-5 Related Product Information
23100-12-1 113293-70-2 101066-61-9 36404-88-3 88912-27-0 88912-26-9 13958-93-5 872-85-5