4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
- Product Name
- 4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
- CAS No.
- 590424-04-7
- Chemical Name
- 4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester
- Synonyms
- tert-butyl 4-((2-(diethylaMino)ethyl)carbaMoyl)-3,5-diMethyl-1H-pyrrole-2-carboxylate;tert-butyl 4-[[[2-(diethylaMino)ethyl]aMino]carbonyl]-3,5-diMethyl-1H-pyrrole-2-carboxylate;4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester;4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 1,1-dimethylethyl ester;4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester USP/EP/BP;1H-Pyrrole-2-carboxylic acid, 4-[[[2-(diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-, 1,1-dimethylethyl ester
- CBNumber
- CB52506527
- Molecular Formula
- C18H31N3O3
- Formula Weight
- 337.46
- MOL File
- 590424-04-7.mol
4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Property
- Boiling point:
- 437.9±45.0 °C(Predicted)
- Density
- 1.061±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.98±0.50(Predicted)
- InChI
- InChI=1S/C18H31N3O3/c1-8-21(9-2)11-10-19-16(22)14-12(3)15(20-13(14)4)17(23)24-18(5,6)7/h20H,8-11H2,1-7H3,(H,19,22)
- InChIKey
- ULCXXVYUVOQRQX-UHFFFAOYSA-N
- SMILES
- N1C(C)=C(C(NCCN(CC)CC)=O)C(C)=C1C(OC(C)(C)C)=O
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.
N-Bromosuccinimide Price
- Product number
- D474263
- Product name
- 4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylicAcidtert-ButylEster
- Packaging
- 500mg
- Price
- $130
- Updated
- 2021/12/16
- Product number
- CM253860
- Product name
- tert-Butyl4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
- Purity
- 97%
- Packaging
- 5g
- Price
- $196
- Updated
- 2021/12/16
- Product number
- 590424047
- Product name
- tert-Butyl4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
- Packaging
- 5g
- Price
- $222.6
- Updated
- 2021/12/16
- Product number
- CM253860
- Product name
- tert-Butyl4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
- Purity
- 97%
- Packaging
- 10g
- Price
- $327
- Updated
- 2021/12/16
- Product number
- CD00003244
- Product name
- tert-Butyl4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
- Purity
- 97%
- Packaging
- 10g
- Price
- $347
- Updated
- 2021/12/16
4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Chemical Properties,Usage,Production
Synthesis
14352-65-9
590424-03-6
590424-04-7
The general procedure for the synthesis of tert-butyl 4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate from tert-butyl 2-(hydroxyimino)-3-oxobutanoate (20.0 g; 107 mmol) and the compound (CAS:590424-03-6) (21.4 g; 107 mmol) is as follows. tert-butyl 2-(hydroxyimino)-3-oxobutanoate was added to a 500 mL Parr reactor along with 2.0 g of 5% dry Pd/C catalyst. The compound (CAS:590424-03-6) was dissolved in 220 mL of acetic acid and subsequently added to the Parr reactor. After purging the reactor with nitrogen and hydrogen, the mixture was hydrogenated by heating the reaction for 7 hours at 65°C and 45 psig hydrogen pressure. Upon completion of the reaction, the reaction mixture was cooled to room temperature and the Pd/C catalyst was removed by filtration and the filter cake was washed with acetic acid. The filtrate was neutralized to pH 13 with 50% aqueous sodium hydroxide, followed by the addition of 500 mL of dichloromethane. The pH of the aqueous phase was adjusted to 13 by continued addition of 50% aqueous sodium hydroxide. the mixture was transferred to a partition funnel to separate the organic and aqueous phases. The aqueous phase was extracted with dichloromethane (3 x 350 mL) and the combined organic phases were washed with deionized water (2 x 250 mL). The washed aqueous phase was back-extracted with dichloromethane (250 mL), all organic phases were combined and concentrated under vacuum. The concentrated residue was dissolved in hot acetonitrile, filtered and the solution was cooled and the precipitated solid was separated by filtration to afford 27.7 g (83 mmol; 77% yield) of tert-butyl 4-((2-(diethylamino)ethyl)carbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate.
References
[1] Journal of Organic Chemistry, 2003, vol. 68, # 16, p. 6447 - 6450
[2] Patent: US2006/9510, 2006, A1. Location in patent: Page/Page column 16
[3] Patent: CN106588888, 2017, A. Location in patent: Paragraph 0034; 0039; 0040
[4] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 19, p. 4380 - 4384
[5] Patent: US2006/9510, 2006, A1. Location in patent: Page/Page column 15
4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
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- Product
- 4-[[[2-(Diethylamino)ethyl]amino]carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid tert-butyl ester 590424-04-7
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1Ton
- Release date
- 2022-09-30