3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Product Name
- 3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- CAS No.
- 96551-22-3
- Chemical Name
- 3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
- Synonyms
- Ethanol,7-diazenyl-;Benzene,1-ethenyl-6-nitro-;1-BOC-3-HYDROXYMETHYL-INDOLE;N-BOC-3-(HYDROXYMETHYL)INDOLE;3-(Hydroxymethyl)indole, N-BOC;3-(HYDROXYMETHYL)INDOLE, N-BOC PROTECTED;3-(HYDROXYMETHYL)-1H-INDOLE-1-CARBOXYLATE;t-butyl 3-hydroxymethylindole-1-carboxylate;3-(Hydroxymethyl)-1H-indole, N-BOC protected;3-(Hydroxymethyl)indole, N-BOC protected 98%
- CBNumber
- CB4401612
- Molecular Formula
- C14H17NO3
- Formula Weight
- 247.29
- MOL File
- 96551-22-3.mol
3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Property
- Boiling point:
- 396.0±34.0 °C(Predicted)
- Density
- 1.14±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform, Dichloromethane
- form
- Solid
- pka
- 14.38±0.10(Predicted)
- color
- Light Brown
Safety
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H332Harmful if inhaled
H335May cause respiratory irritation
- Precautionary statements
-
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
N-Bromosuccinimide Price
- Product number
- H946760
- Product name
- 3-Hydroxymethyl-1H-indole-1-carboxylicAcidtert-ButylEster
- Packaging
- 10g
- Price
- $285
- Updated
- 2021/12/16
- Product number
- W9813
- Product name
- 1-Boc-3-Hydroxymethylindole
- Packaging
- 10g
- Price
- $339
- Updated
- 2021/12/16
- Product number
- W9813
- Product name
- 1-Boc-3-Hydroxymethylindole
- Packaging
- 5g
- Price
- $207
- Updated
- 2021/12/16
- Product number
- 043167
- Product name
- tert-Butyl 3-(hydroxymethyl)-1H-indole-1-carboxylate
- Purity
- >95%
- Packaging
- 1g
- Price
- $157
- Updated
- 2021/12/16
- Product number
- 4H51-1-47
- Product name
- 3-(Hydroxymethyl)-1H-indole, N-Boc protected
- Packaging
- 1g
- Price
- $168
- Updated
- 2021/12/16
3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Chemical Properties,Usage,Production
Chemical Properties
3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER is Light Brown Solid
Uses
3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER can be used in the preparation of arylpiperidinones for treatment of inflammation.
Synthesis
57476-50-3
96551-22-3
Step 2. To a solution of tert-butyl 3-formyl-1H-indole-1-carboxylate (44 g, 0.17 mol) in anhydrous ethanol (50 mL) was added sodium borohydride (16.6 g, 0.45 mol) in batches at 0 °C. The reaction mixture was stirred at room temperature for 3 hours. Upon completion of the reaction, the mixture was filtered to remove insoluble material. The filtrate was rotary evaporated to remove ethanol. The residue was dissolved in ethyl acetate (100 mL) and water (50 mL) for partitioning. The aqueous layer was further extracted with ethyl acetate (2 x 50 mL). The combined organic layers were washed with saturated saline (50 mL), dried over anhydrous sodium sulfate, filtered and concentrated under reduced pressure to give tert-butyl 3-(hydroxymethyl)-1H-indole-1-carboxylate (40 g, 95% yield). The product was characterized by 1H NMR (400 MHz, CDCl3): δ 1.59 (s, 9H), 4.77 (s, 2H), 7.19 (t, 1H), 7.25 (t, 1H), 7.51 (s, 1H), 7.57 (d, 1H), 8.06 (d, 1H).
References
[1] Liebigs Annalen der Chemie, 1985, # 2, p. 413 - 417
[2] Journal of Organic Chemistry, 2016, vol. 81, # 4, p. 1723 - 1730
[3] Chemical and Pharmaceutical Bulletin, 2016, vol. 64, # 8, p. 1242 - 1247
[4] Patent: WO2013/148365, 2013, A1. Location in patent: Paragraph 0083
[5] Synthetic Communications, 2000, vol. 30, # 12, p. 2143 - 2159
3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Preparation Products And Raw materials
Raw materials
Preparation Products
3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers
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View Lastest Price from 3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER manufacturers
- Product
- 1-Boc-3-Hydroxymethylindole 96551-22-3
- Price
- US $2.00/KG
- Min. Order
- 1KG
- Purity
- ≥98%
- Supply Ability
- 100kg
- Release date
- 2019-12-20