ChemicalBook--->CAS DataBase List--->400727-57-3

400727-57-3

400727-57-3 Structure

400727-57-3 Structure
IdentificationBack Directory
[Name]

3-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
[CAS]

400727-57-3
[Synonyms]

N-DiMethyl-3-(4
N,N-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-
4-(DiMethylcarbaMoyl)phenylboronic Acid Pinacol Ester
4-(Dimethylcarbamoyl)benzeneboronic acid, pinacol ester
4-(N,N-Dimethylcarbamoyl)phenylboronic Acid Pinacol Ester
N,N-diMethyl-4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)benzaMide
4-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
3-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER
N,N-DIMETHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
N,N-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZAMIDE
Benzamide, N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
[Molecular Formula]

C15H22BNO3
[MDL Number]

MFCD05863908
[MOL File]

400727-57-3.mol
[Molecular Weight]

275.15
Chemical PropertiesBack Directory
[Boiling point ]

406.2±28.0 °C(Predicted)
[density ]

1.06±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

solid
[pka]

-1.28±0.70(Predicted)
[color ]

White
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315; H319; H335
[Precautionary statements ]

P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
[Hazard Codes ]

Xi
[Risk Statements ]

43
[Safety Statements ]

36/37
[HS Code ]

2931900090
Spectrum DetailBack Directory
[Spectrum Detail]

3-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER(400727-57-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-Bromo-N,N-dimethylbenzamide

18469-37-9

Bis(pinacolato)diboron

73183-34-3

3-(N,N-DIMETHYLAMINOCARBONYL)PHENYLBORONIC ACID, PINACOL ESTER

400727-57-3

GENERAL STEPS: A mixture of bis(pinacolato)diboron (610 mg, 2.4 mmol), 4-bromo-N,N-dimethylbenzamide (2,500 mg, 2.19 mmol), Pd(dppf)Cl2 (18 mg, 0.02 mmol) and KOAc (320 mg, 3.3 mmol) was dissolved in 1,4-dioxane (18 mL) in. The reaction mixture was heated and stirred at 100 °C for 16 h under nitrogen protection. Upon completion of the reaction, the reaction mixture was filtered and concentrated under reduced pressure to remove the solvent. The residue was purified by silica gel column chromatography using CH2Cl2 solution with 0-5% MeOH as eluent to afford the target product 4-(dimethylcarbamoyl)phenylboronic acid pinacol ester (540 mg, 90% yield). The product was characterized by 1H NMR (300 MHz, CDCl3): δ 7.86-7.78 (m, 2H), 7.43-7.36 (m, 2H), 3.11 (s, 3H), 2.97 (s, 3H), 1.35 (s, 12H).

[References]

[1] Patent: US2014/140956, 2014, A1. Location in patent: Paragraph 0677; 0679
[2] Patent: US2016/376283, 2016, A1. Location in patent: Paragraph 0241; 0243
400727-57-3 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: Beijing HwrkChemical Technology Co., Ltd  
Telephone: 89508211 18501085097
Website: http://www.hwrkchemical.com
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Shanghai Sinch Parmaceuticals Tech. Co. Ltd.  
Telephone: +86-21-54098501
Website: www.sinch.com.cn
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Shanghai Jian Chao Chemical Technology Co., Ltd.  
Telephone: 150-2103-5486 18017383231
Website: www.antaeus-e.com/
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66028182 17714375163
Website: www.aikonchem.com
Company Name: Shanghai Rong Lin Medical Technology Co., Ltd.  
Telephone: 18602194589
Website: https://www.chemicalbook.com/ShowSupplierProductsList16469/0_EN.htm
Company Name: Suzhou Chenke Biotech Co., Ltd.  
Telephone: 18662408853
Website: http://www.ckechem.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 027-67849912
Website: www.chemwish.com
Company Name: Boron Technology (Beijing) Co., Ltd.  
Telephone: 010-15313962280 15313962280
Website: www.pengnuokj.com
Company Name: Shandong Xiya Chemical Co., Ltd.  
Telephone: 4009903999 13395398332
Website: http://www.xiyashiji.com
Company Name: Amadis Chemical Company Limited  
Telephone: 571-89925085
Website: http://www.amadischem.com
Tags:400727-57-3 Related Product Information
486422-05-3 1256360-56-1 1256360-26-5 1132940-88-5 1150271-35-4 1218789-39-9 1150271-66-1 1256360-59-4 1007126-41-1 1218789-92-4 397843-98-0 1073353-64-6 832114-10-0 1029439-56-2 787591-39-3 325142-87-8 86847-84-9 850567-58-7