ChemicalBook--->CAS DataBase List--->754214-56-7

754214-56-7

754214-56-7 Structure

754214-56-7 Structure
IdentificationBack Directory
[Name]

5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE
[CAS]

754214-56-7
[Synonyms]

EOS-60660
7-Azaindole-5-boronic aci...
7-Azaindole-5-boronic acid pinacol ester
5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1
Pyrrolo[2,3-b)pyridine-5-boronic acid,pinacol ester
Pyrrolo[2,3-b]pyridin-5-ylboronic acid pinacol ester
1H-Pyrrolo[2,3-B]pyridine-5-boronic acid pinacol ester
7-Azaindole-5-boronic acid pinacol ester ISO 9001:2015 REACH
5-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrrolo2,3-bpyridine
5-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE
1H-Pyrrolo[2,3-b]pyridine, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 1H-pyrrolo[2,3-b]pyridin-5-ylboronate
1H-Pyrrolo[2,3-b]pyridine,5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- (CAS No.754214-56-7)
[Molecular Formula]

C13H17BN2O2
[MDL Number]

MFCD08060937
[MOL File]

754214-56-7.mol
[Molecular Weight]

244.1
Chemical PropertiesBack Directory
[Melting point ]

242-242.5°C
[density ]

1.15±0.1 g/cm3(Predicted)
[storage temp. ]

?20°C
[solubility ]

Soluble in methanol, ethanol and THF.
[form ]

solid
[pka]

13.88±0.40(Predicted)
[Appearance]

White to off-white Solid
[Sensitive ]

Air Sensitive
[InChI]

InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10/h5-8H,1-4H3,(H,15,16)
[InChIKey]

QXOZTDXLAMPSBE-UHFFFAOYSA-N
[SMILES]

C12NC=CC1=CC(B1OC(C)(C)C(C)(C)O1)=CN=2
[CAS DataBase Reference]

754214-56-7
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

7-Azaindole-5-boronic acid pinacol ester is used as pharmaceutical intermediate.
[Synthesis]

5-Chloro-7-azaindole

866546-07-8

Pinacol

76-09-5

Trimethyl borate

121-43-7

7-Azaindole-5-boronic acid pinacol ester

754214-56-7

Step 1: 5-Chloro-1H-pyrrolo[2,3-b]pyridine (3 g, 0.02 mol) was dissolved in dichloromethane (50 ml) and triethylamine (0.20 mol) and tert-butyldimethylchlorosilane (0.2 mol) were added sequentially under stirring. The reaction mixture was stirred overnight at room temperature and the reaction was monitored by thin layer chromatography (TLC) until completion. Upon completion of the reaction, it was quenched by adding 50 ml of water and 10 ml of 0.1 mol/L dilute hydrochloric acid. The organic phase was separated and washed sequentially with 50 ml of water, 50 ml of saturated sodium carbonate solution and 50 ml of saturated sodium chloride solution. After evaporating the solvent of dichloromethane phase, the residue was washed with acetone three times and dried to obtain a yellow solid. Step 2: The yellow solid obtained in step 1 was dissolved in 50 ml of tetrahydrofuran (THF), keeping the temperature of the reaction system at -5°C. Sodium carbonate (0.53 g, 0.005 mol) was added, then trimethyl borate (4.6 ml, 0.04 mol) was added slowly dropwise. After addition, the reaction mixture was warmed up to room temperature and the solvent was evaporated under reduced pressure to obtain a yellow oily substance. Step 3: To the yellow oily substance obtained in step 2, 80 ml of ethyl acetate and pinacol (0.02 mol) were added and the reaction was refluxed. The reaction was monitored by TLC until completion. After evaporation of the solvent, the residue was dissolved in 100 ml of acetone, stirred and filtered. The filtrate was concentrated to dryness to give a colorless oil. Step 4: The colorless oily material obtained in step 3 was dissolved in 50 ml of ether, 30 ml of 0.1 mol/L dilute hydrochloric acid was added and stirred overnight. After evaporating the solvent, the residue was extracted with 30 ml of ethyl acetate. The organic phase was dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give the crude product. The crude product was further purified by 1:1 (v/v) chloroform-crystallization (20 ml) to give a white solid. The final product was 7-azaindole-5-boronic acid pinacol ester (2.78 g, HPLC purity 99.8%) in 56.8% overall yield.

[References]

[1] Patent: CN104478909, 2017, B. Location in patent: Paragraph 0016; 0017; 0018; 0019; 0020; 0021-0036
Safety DataBack Directory
[Hazard Codes ]

Xi,T,Xn
[Risk Statements ]

25-20/21/22-36/37/38
[Safety Statements ]

45-36-22-37-26
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29339980
Spectrum DetailBack Directory
[Spectrum Detail]

7-Azaindole-5-boronic acid pinacol ester(754214-56-7)1HNMR
754214-56-7 suppliers list
Company Name: Shanghai Rong Lin Medical Technology Co., Ltd.  Gold
Telephone: 18602194589
Website: https://www.chemicalbook.com/ShowSupplierProductsList16469/0_EN.htm
Company Name: Changzhou Nuobailang Biomedical Technology Co., Ltd.  Gold
Telephone: 13861006441
Website: http://www.nblpharma.com/
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.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: Tetranov Biopharm  
Telephone: 13526569071
Website: http://www.leadmedpharm.com/index.html
Company Name: Adamas Reagent, Ltd.  
Telephone: 4006009262 13023226327
Website: http://www.tansoole.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 4000665055
Website: www.shao-yuan.com/
Company Name: Shanghai Longsheng chemical Co.,Ltd.  
Telephone: 58099637 13585536065
Website: www.shlshg.com
Company Name: ZEROSCHEM.CO.,LTD.  
Telephone: 10-61256048 13810278579;
Website: http://www.zeroschem.com
Company Name: Shanghai Ennopharm Co., Ltd.  
Telephone: +86 (21) 6435-5022
Website: www.chemicalbook.com/ShowSupplierProductsList13640/0_EN.htm
Company Name: China Langchem Inc.  
Telephone: 0086-21-58956006
Website: www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm
Company Name: SpringPharma Tech Co.,Ltd  
Telephone: +86-25-68710855, +86-25-68710897
Website: www.springpharma.net
Company Name: Acorn PharmaTech Co., Ltd.  
Telephone: 025-58395930
Website: www.acornpharma.com
Company Name: Chengdu Ai Keda Chemical Technology Co., Ltd.  
Telephone: 4008-755-333 18080918076
Website: http://www.aikeshiji.com
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66113011 13913916777
Website: www.aikonchem.com/
Tags:754214-56-7 Related Product Information
74420-02-3 10043-35-3 643094-08-0 473596-87-1 120-72-9 317-20-4 271-63-6 76-09-5