ChemicalBook--->CAS DataBase List--->885278-42-2

885278-42-2

885278-42-2 Structure

885278-42-2 Structure
IdentificationBack Directory
[Name]

METHYL 6-BROMO-1H-INDAZOLE-3-CARBOXYLATE
[CAS]

885278-42-2
[Synonyms]

6-Bromo-3-(methoxycarbonyl)-1H-indazole
METHYL 6-BROMO-1H-INDAZOLE-3-CARBOXYLATE
6-bromo-1H-indazole-3-carboxylic acid methyl ester
1H-Indazole-3-carboxylic acid, 6-broMo-, Methyl ester
[Molecular Formula]

C9H7BrN2O2
[MDL Number]

MFCD07371573
[MOL File]

885278-42-2.mol
[Molecular Weight]

255.07
Chemical PropertiesBack Directory
[Boiling point ]

399.7±22.0 °C(Predicted)
[density ]

1.709±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,2-8°C
[pka]

10.71±0.40(Predicted)
[Appearance]

Off-white to pink Solid
[InChI]

InChI=1S/C9H7BrN2O2/c1-14-9(13)8-6-3-2-5(10)4-7(6)11-12-8/h2-4H,1H3,(H,11,12)
[InChIKey]

FIPMZRPZSZXFGK-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=CC(Br)=C2)C(C(OC)=O)=N1
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
[HS Code ]

2933998090
Hazard InformationBack Directory
[Chemical Properties]

Methyl 6-bromo-1H-indazole-3-carboxylate is an ester compound with a molecular weight of 255.07, a density of 1.709±0.06 g/cm3 and a boiling point of 399.7 °C (760 mm Hg), which is an irritant to the skin and eyes, and is also acutely toxic.
[Uses]

Methyl 6-bromo-1H-indazole-3-carboxylate is an organic intermediate compound used in chemical and laboratory research, as an organic synthetic material or reaction reagent.It can be used to synthesize its downstream products (Methyl 6-bromo-1-methyl-1H-indazole 3-carboxylate) and other ester compounds.
[Synthesis]

Methanol

67-56-1

6-BROMO INDAZOLE-3-CARBOXYLIC ACID

660823-36-9

METHYL 6-BROMO-1H-INDAZOLE-3-CARBOXYLATE

885278-42-2

Concentrated sulfuric acid (1.50 mL, 28 mmol) was slowly added to a methanolic (50 mL, 1 mol) suspension of 6-bromo-1H-indazole-3-carboxylic acid (3.00 g, 12 mmol), and the reaction mixture was heated to 90°C and held for 4 hours. After completion of the reaction, it was cooled to room temperature and the mixture was diluted with 200 mL of ethyl acetate and washed sequentially with 150 mL of saturated aqueous sodium bicarbonate and 150 mL of brine. The organic phase was dried with anhydrous sodium sulfate and concentrated under reduced pressure to give 2.42 g (76% yield) of methyl 6-bromo-1H-indazole-3-carboxylate as a yellow solid. The product was dissolved in tetrahydrofuran (50 mL), cooled to 0 °C and sodium hydride (0.417 g, 10.4 mmol) was added in batches. After stirring at 0 °C for 30 min, [β-(trimethylmethylsilyl)ethoxy]methyl chloride (1.85 mL, 10.4 mmol) was added slowly and dropwise. The reaction mixture was slowly warmed to room temperature over 90 min, excess sodium hydride was quenched by the addition of methanol and concentrated under reduced pressure. The residue was diluted with 200 mL of ethyl acetate and washed with 200 mL of brine. The aqueous phase was back-extracted with 50 mL of ethyl acetate, the organic phases were combined, dried over anhydrous sodium sulfate, and concentrated under reduced pressure. Purification by CombiFlash Fast Chromatography System (40g silica gel column; dissolved in dichloromethane; elution gradient: 100:0 to 50:50 heptane:ethyl acetate, 30 min) gave 3.22 g (88% yield) of the target compound as a yellow oil.

[References]

[1] Patent: WO2013/24011, 2013, A1. Location in patent: Page/Page column 51
[2] Patent: WO2011/50245, 2011, A1. Location in patent: Page/Page column 134-135
[3] Patent: WO2011/20615, 2011, A1. Location in patent: Page/Page column 85; 86
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 6-BROMO-1H-INDAZOLE-3-CARBOXYLATE(885278-42-2)1HNMR
885278-42-2 suppliers list
Company Name: ROSEWA HOLDING GROUP CO.,LIMITED
Tel: +86-023-62871537
Website: www.chemicalbook.com/ShowSupplierProductsList31018/0_EN.htm
Company Name: Nanjing ChemLin Chemical Industry Co., Ltd.
Tel: 025-83697070
Website: www.echemlin.cn
Company Name: Accela ChemBio Inc.
Tel: +1-858-6993322
Website: www.accelachem.com/
Company Name: Changzhou Ditong Chemical Co.,Ltd
Tel: +86-0519-88299272
Website: http://www.edengenechem.com
Company Name: Alchem Pharmtech,Inc.
Tel: 8485655694
Website: www.chemicalbook.com/ShowSupplierProductsList454175/0_EN.htm
Company Name: CONIER CHEM AND PHARMA LIMITED
Tel: +8618523575427 , +8618523575427
Website: http://www.conier.com/
Company Name: Fuxin Pharmaceutical
Tel: +86-021-021-50872116 +8613122107989 , +8613122107989
Website: http://www.fuxinpharm.com
Company Name: Guangzhou Yuheng Pharmaceutical Technology Co., Ltd
Tel: +8613580539051 , +8613580539051
Website: www.yuhengpharm.com
Company Name: Blocksynth Pharmaceutical Technology Co.,Ltd
Tel: 0086-19817745290; +8619817745290 , +8619817745290
Website: http://www.blocksynth.com/
Company Name: Dayang Chem (Hangzhou) Co.,Ltd.
Tel: +86-0571-88938639 +8617705817739 , +8617705817739
Website: www.dycnchem.com/
Company Name: Hefei TNJ Chemical Industry Co.,Ltd.
Tel: +86-0551-65418684 +8618949823763 , +8618949823763
Website: www.tnjchem.com
Company Name: Coresyn Pharmatech Co., Ltd.
Tel: +86-571-86626709 +86-18157142896 , +86-18157142896
Website: http://www.coresyn.com/
Company Name: Hebei Chuanghai Biotechnology Co., Ltd
Tel: +8615531151365 , +8615531151365
Website: www.chuanghaibio.com
Company Name: PT CHEM GROUP LIMITED
Tel: +86-85511178;
Website: https://www.chemicalbook.com/manufacturer/henan-lihao-chem-plant-25020/
Company Name: Nanjing Bicbiotechnology Co., Ltd
Tel: +86-2552131256 +86-18251840740 , +86-18251840740
Website: www.bicbiotech.com/en/
Company Name: Young Lively PharminBlock Co.,Ltd
Tel: +undefined18600731423 , +undefined18600731423
Website:
Company Name: Aladdin Scientific
Tel:
Website: www.aladdinsci.com/
Company Name: Chongqing Chemdad Co., Ltd
Tel: +86-023-6139-8061 +86-86-13650506873 , +86-86-13650506873
Website: http://www.chemdad.com/
Tags:885278-42-2 Related Product Information
75-01-4 1211516-09-4 1893842-64-2 1396762-16-5 78155-73-4 79762-54-2

  • HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase | Privacy | Terms | About Us
  • All products displayed on this website are only for non-medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.
    According to relevant laws and regulations and the regulations of this website, units or individuals who purchase hazardous materials should obtain valid qualifications and qualification conditions.
  • Copyright © 2023 ChemicalBook All rights reserved.