4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

Uses

Product Name: 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
CAS No.: 885272-46-8
Chemical Name: 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Synonyms: N-Boc-4-broMoindoline;tert-Butyl 4-broMoindoline-1-carboxylate;Tert-butyl 4-bromo-2,3-dihydroindole-1-carboxylate;4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;1H-Indole-1-carboxylic acid, 4-broMo-2,3-dihydro-, 1,1-diMethylethyl ester
CBNumber: CB0116433
Molecular Formula: C13H16BrNO2
Formula Weight: 298.18
MOL File: 885272-46-8.mol

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4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Property

Boiling point:: 362.0±41.0 °C(Predicted)
Density: 1.400±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
pka: -0.34±0.20(Predicted)
Appearance: White to yellow Solid-Liquid Mixture
InChI: InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-8-7-9-10(14)5-4-6-11(9)15/h4-6H,7-8H2,1-3H3
InChIKey: DUZIJTYKDFFQDJ-UHFFFAOYSA-N
SMILES: N1(C(OC(C)(C)C)=O)C2=C(C(Br)=CC=C2)CC1

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

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

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

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N-Bromosuccinimide Price

TRC

Product number: B789350
Product name: tert-Butyl4-Bromoindoline-1-carboxylate
Packaging: 100mg
Price: $60
Updated: 2021/12/16

TRC

Product number: B789350
Product name: tert-Butyl4-Bromoindoline-1-carboxylate
Packaging: 50mg
Price: $45
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: HCH0355832
Product name: 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID-TERT-BUTYL ESTER
Purity: 95.00%
Packaging: 5MG
Price: $497.43
Updated: 2021/12/16

Matrix Scientific

Product number: 126104
Product name: tert-Butyl4-bromoindoline-1-carboxylate
Purity: >95%
Packaging: 5g
Price: $864
Updated: 2021/12/16

Matrix Scientific

Product number: 126104
Product name: tert-Butyl4-bromoindoline-1-carboxylate
Purity: >95%
Packaging: 10g
Price: $1440
Updated: 2021/12/16

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4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Chemical Properties,Usage,Production

Uses

4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is an indole derivative used in pharmaceutical synthesis and scientific research.

Synthesis

24424-99-5

86626-38-2

885272-46-8

The reaction mixture was stirred overnight at room temperature in acetonitrile (8 mL) with 4-bromo-2,3-dihydro-1H-indole (759 mg, 3.81 mmol) and di-tert-butyl dicarbonate (976 mg, 4.48 mmol). After completion of the reaction, the solvent was removed by rotary evaporation and the residue was dissolved in ethyl acetate (40 mL). The organic layer was washed sequentially with water (3 x 20 mL) and saturated saline (1 x 20 mL). The organic phase was collected, dried over anhydrous sodium sulfate and concentrated under reduced pressure. Finally, it was purified by silica gel column chromatography (eluent: petroleum ether) to afford N-Boc-4-bromoindoline (840 mg, 74% yield) as a white solid.1H NMR (400 MHz, DMSO-d6) δ 1.50 (s, 9H), 3.02 (t, J = 8.8 Hz, 2H), 3.94 (t, J = 8.8 Hz, 2H) 7.12 (m, 2H), 7.56 (m, 1H).

References

[1] Patent: WO2011/130628, 2011, A1. Location in patent: Page/Page column 225
[2] Patent: US2013/102595, 2013, A1. Location in patent: Paragraph 0566
[3] Patent: JP2015/187145, 2015, A. Location in patent: Paragraph 0481
[4] Patent: WO2016/25933, 2016, A2. Location in patent: Page/Page column 185

4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Preparation Products And Raw materials

Raw materials

Preparation Products

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4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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885272-46-8, 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTERRelated Search:

4-Bromoindoline N-(TERT-BUTOXYCARBONYL)-3-BROMOANILINE TERT-BUTYL 2-BROMOPHENETHYLCARBAMATE 4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER N-BOC-4-BROMOISATIN

4-BROMO-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

N-Boc-4-broMoindoline

1H-Indole-1-carboxylic acid, 4-broMo-2,3-dihydro-, 1,1-diMethylethyl ester

tert-Butyl 4-broMoindoline-1-carboxylate

Tert-butyl 4-bromo-2,3-dihydroindole-1-carboxylate

885272-46-8