4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID
- Product Name
- 4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID
- CAS No.
- 77716-11-1
- Chemical Name
- 4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID
- Synonyms
- BOC-PY-OH;RARECHEM EM WB 0061;BOC-NH(4)-MEPYL-(2)-OH;BOC-NH(4)-MEPYRL-(2)-OH;4-(BOC-AMINO)-1-METHYLPYRROLE-2-CARBO-;BOC-4-AMINO-1-METHYLPYRROLE-2-CARBOXYLIC ACID;4-(BOC-AMINO)-1-METHYLPYRROLE-2-CARBOXYLIC ACID;4-(BOC-AMINO)-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID;4-(T-BUTOXYCARBONYL)AMINO-1-METHYLPYRROLE-2-CARBOXYLIC ACID;4-tert-butoxycarbonylamino-1-methyl-1H-pyrrole-2 carboxylic
- CBNumber
- CB8468192
- Molecular Formula
- C11H16N2O4
- Formula Weight
- 240.26
- MOL File
- 77716-11-1.mol
4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID Property
- Melting point:
- 156-160 °C (dec.)
- Boiling point:
- 355.0±27.0 °C(Predicted)
- Density
- 1.21±0.1 g/cm3(Predicted)
- storage temp.
- -15°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 4.66±0.41(Predicted)
- color
- Pale Brown to Light Brown
- BRN
- 4470648
- CAS DataBase Reference
- 77716-11-1(CAS DataBase Reference)
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.
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
- B6351
- Product name
- 4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid
- Packaging
- 250MG
- Price
- $47
- Updated
- 2025/07/31
- Product number
- B6351
- Product name
- 4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid
- Packaging
- 1G
- Price
- $92
- Updated
- 2025/07/31
- Product number
- B618585
- Product name
- 4-(Boc-amino)-1-methylpyrrole-2-carboxylic acid
- Packaging
- 250mg
- Price
- $70
- Updated
- 2021/12/16
- Product number
- FB44202
- Product name
- 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylic acid
- Packaging
- 500mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- 4H21-1-X5
- Product name
- 4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid, 4-Boc protected
- Purity
- 97%
- Packaging
- 1g
- Price
- $75
- Updated
- 2021/12/16
4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID Chemical Properties,Usage,Production
Chemical Properties
White crystalline powder
Uses
4-(Boc-amino)-1-methylpyrrole-2-carboxylic Acid is an unnatural amino acid for preparing heteroaromatic oligoamides for regulating gen expression in biotechnology.
Synthesis
126092-96-4
77716-11-1
To methyl 4-((tert-butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylate (5.0 g, 19.67 mmol) was added 30 mL of an aqueous solution containing 8 g of sodium hydroxide in 120 mL of a 1:1 solvent mixture of tetrahydrofuran (THF) and water. The reaction mixture was stirred at room temperature overnight. Upon completion of the reaction, the mixture was concentrated to remove THF, diluted with water, and then extracted with a solvent mixture of ethyl acetate/hexane (1:1). The aqueous phase was adjusted to pH 4.0 with 20% phosphoric acid and subsequently extracted with ethyl acetate (4 x 60 mL). The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and the solvent evaporated to give the crude product. The crude product was crystallized by ethanol/ethyl acetate/hexane mixed solvent to give 3.81 g (81% yield) of 4-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid. The product was characterized by 1H NMR (CD3OD) δ 12.79 (s, 1H), 10.48 (br, 1H), 7.51 (s, 1H), 6.99 (s, 1H), 3.78 (s, 3H), 1.49 (s, 9H); 13C NMR δ 158.47, 153.82, 123.64, 121.56, 109.58, 79.52, 37.06, 28.42; MS m/z 239.2 (M-H) confirmed.
References
[1] Journal of Organic Chemistry, 2004, vol. 69, # 23, p. 8151 - 8153
[2] Journal of Pharmaceutical Sciences, 1989, vol. 78, # 11, p. 910 - 917
[3] Patent: WO2010/91150, 2010, A1. Location in patent: Page/Page column 141
[4] Journal of the American Chemical Society, 1996, vol. 118, # 26, p. 6141 - 6146
[5] Chemistry - A European Journal, 2007, vol. 13, # 11, p. 3177 - 3186
4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID Preparation Products And Raw materials
Raw materials
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