ChemicalBook > CAS DataBase List > 4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID

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

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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)

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Safety

Hazard Codes: Xi
Safety Statements: 24/25
WGK Germany: 3
HazardClass: IRRITANT
HS Code: 29242990

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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.

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

TCI Chemical

Product number: B6351
Product name: 4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid
Packaging: 250MG
Price: $47
Updated: 2025/07/31

TCI Chemical

Product number: B6351
Product name: 4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid
Packaging: 1G
Price: $92
Updated: 2025/07/31

TRC

Product number: B618585
Product name: 4-(Boc-amino)-1-methylpyrrole-2-carboxylic acid
Packaging: 250mg
Price: $70
Updated: 2021/12/16

Biosynth Carbosynth

Product number: FB44202
Product name: 4-((tert-Butoxycarbonyl)amino)-1-methyl-1H-pyrrole-2-carboxylic acid
Packaging: 500mg
Price: $60
Updated: 2021/12/16

SynQuest Laboratories

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

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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

Preparation Products

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77716-11-1, 4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACIDRelated Search:

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4-[(tert-Butoxycarbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylic acid, 4-[(tert-Butoxycarbonyl)amino]-2-carboxy-1-methyl-1H-pyrrole

4-Amino-1-methyl-1H-pyrrole-2-carboxylicacid,4-BOCprotected97%

4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic acid≥ 97% (HPLC)

4-(BOC-AMINO)-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID

4-(BOC-AMINO)-1-METHYLPYRROLE-2-CARBOXYLIC ACID

4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID

4-(T-BUTOXYCARBONYL)AMINO-1-METHYLPYRROLE-2-CARBOXYLIC ACID

4-(N-TERT-BUTOXYCARBONYLAMINO)-1-METHYLPYRROLE-2-CARBOXYLIC ACID

RARECHEM EM WB 0061

4-(BOC-AMINO)-1-METHYLPYRROLE-2-CARBO-

BOC-4-AMINO-1-METHYLPYRROLE-2-CARBOXYLIC ACID

BOC-PY-OH

BOC-NH(4)-MEPYL-(2)-OH

BOC-NH(4)-MEPYRL-(2)-OH

4-tert-butoxycarbonylamino-1-methyl-1H-pyrrole-2 carboxylic

4-(N-tert-Butoxycarbonylamino)-1-methyl-1H-pyrrole-2-carboxylic acid

4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid, 4-BOC protected

4-(tert-butoxycarbonylaMino)-1-Methyl-1H-pyrrole-2-carboxylic ac

4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid, 4-BOC protected 97%

4-[Boc-amino]-1-methyl-1H-pyrrole-2-carboxylic acid (Boc-Pyo-OH)

1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid

1H-Pyrrole-2-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-methyl-

1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylicaci

4-TERT-BUTOXYCARBONYLAMINO-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID USP/EP/BP

77716-11-1

C11H16N2O4

Specialty Synthesis

Others

Peptide Synthesis

Unnatural Amino Acid Derivatives

Others

Peptide Synthesis

Unnatural Amino Acid Derivatives