ChemicalBook > CAS DataBase List > 1-BOC-4-BROMO-1H-INDAZOLE

1-BOC-4-BROMO-1H-INDAZOLE

Product Name: 1-BOC-4-BROMO-1H-INDAZOLE
CAS No.: 926922-37-4
Chemical Name: 1-BOC-4-BROMO-1H-INDAZOLE
Synonyms: 1-BOC-4-BROMO-1H-INDAZOLE;4-Bromoindazole-1-carboxylic;4-Bromo-1H-indazole, N1-BOC protected;tert-butyl 4-bromoindazole-1-carboxylate;tert-butyl 4-bromo-1H-indazole-1-carboxylate;4-Bromoindazole-1-carboxylic acid tert-butyl ester;1,1-Dimethylethyl 4-bromo-1H-indazole-1-carboxylate;4-Bromo-1H-indazole-1-carboxylic acid tert-butyl ester;1H-INDAZOLE-1-CARBOXYLIC ACID,4-BROMO-,1,1-DIMETHYLETHYL ESTER
CBNumber: CB02456063
Molecular Formula: C12H13BrN2O2
Formula Weight: 297.15
MOL File: 926922-37-4.mol

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1-BOC-4-BROMO-1H-INDAZOLE Property

Boiling point:: 377.4±34.0 °C(Predicted)
Density: 1.46±0.1 g/cm3(Predicted)
storage temp.: 2-8°C
pka: -2.73±0.30(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-10-6-4-5-9(13)8(10)7-14-15/h4-7H,1-3H3
InChIKey: OFVPGIHEBLOESV-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)C2=C(C(Br)=CC=C2)C=N1

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Safety

HS Code: 2933998090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: B201040
Product name: 1-BOC-4-Bromo-1H-indazole
Packaging: 10mg
Price: $45
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB53863
Product name: 1-Boc-4-bromo-1H-indazole
Packaging: 50mg
Price: $67.5
Updated: 2021/12/16

Apolloscientific

Product number: OR43563
Product name: 4-Bromo-1H-indazole,N1-BOCprotected
Purity: 95%
Packaging: 1g
Price: $77
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB53863
Product name: 1-Boc-4-bromo-1H-indazole
Packaging: 100mg
Price: $108
Updated: 2021/12/16

AK Scientific

Product number: W9556
Product name: 1-Boc-4-bromo-1H-indazole
Packaging: 1g
Price: $117
Updated: 2021/12/16

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1-BOC-4-BROMO-1H-INDAZOLE Chemical Properties,Usage,Production

Synthesis

24424-99-5

186407-74-9

926922-37-4

At room temperature, 4-bromo-1H-indazole (1.0 g, 5.07 mmol) was dissolved in dichloromethane (DCM, 20 mL), followed by sequential addition of triethylamine (TEA, 0.85 mL, 6.1 mmol) and 4-dimethylaminopyridine (DMAP, 0.062 g, 0.50 mmol). Di-tert-butyl dicarbonate (Boc anhydride, 1.28 mL, 5.58 mmol) was added slowly and dropwise to the reaction mixture under continuous stirring. The reaction mixture was continued to be stirred at room temperature for 2.5 hours. Upon completion of the reaction, the mixture was poured into water (30 mL) and extracted with dichloromethane (2 x 30 mL). The organic phases were combined, dried over anhydrous sodium sulfate (Na2SO4), filtered and concentrated under reduced pressure. The crude product was purified by fast column chromatography (eluent: hexane solution of 15-20% ethyl acetate) to afford the target compound tert-butyl 4-bromo-1H-indazole-1-carboxylate (1.5 g, 5.06 mmol). The product was analyzed by LCMS (Method C) showing a retention time of 2.601 min and a mass spectrum (MS: ES+) m/z of 297.19; NMR hydrogen spectrum (400 MHz, DMSO-d6) δ ppm: 8.20 (s, 1H), 8.15 (d, J = 8.0 Hz, 1H), 7.47 (dd, J = 0.8 Hz, 7.6 Hz. 1H), 7.37-7.41 (m, 1H), 1.74 (s, 9H).

References

[1] Patent: WO2007/21937, 2007, A2. Location in patent: Page/Page column 42
[2] Patent: WO2017/109488, 2017, A1. Location in patent: Page/Page column 43

1-BOC-4-BROMO-1H-INDAZOLE Preparation Products And Raw materials

Raw materials

Preparation Products

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1-BOC-4-BROMO-1H-INDAZOLE Suppliers

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926922-37-4, 1-BOC-4-BROMO-1H-INDAZOLERelated Search:

TERT-BUTYL 4-BROMO-2-FLUOROBENZYLCARBAMATE tert-Butyl 2-bromo-4-fluorobenzoate TERT-BUTYL 4-BROMO-3-METHOXYBENZOATE 98 tert-butyl 4-broMo-5,6-dihydropyridine-1(2H)-carboxylate 4-BROMO-1-METHYL-1H-INDAZOLE 1-BOC-4-BROMO-1H-INDAZOLE

1-BOC-4-BROMO-1H-INDAZOLE

tert-butyl 4-bromo-1H-indazole-1-carboxylate

1H-INDAZOLE-1-CARBOXYLIC ACID,4-BROMO-,1,1-DIMETHYLETHYL ESTER

4-Bromo-1H-indazole-1-carboxylic acid tert-butyl ester

4-Bromoindazole-1-carboxylic acid tert-butyl ester

tert-butyl 4-bromoindazole-1-carboxylate

4-Bromoindazole-1-carboxylic

4-Bromo-1H-indazole, N1-BOC protected

1,1-Dimethylethyl 4-bromo-1H-indazole-1-carboxylate

926922-37-4