Methyl 2-(4-methylphenylsulfonamido)acetate
- Product Name
- Methyl 2-(4-methylphenylsulfonamido)acetate
- CAS No.
- 2645-02-5
- Chemical Name
- Methyl 2-(4-methylphenylsulfonamido)acetate
- Synonyms
- T0514-7020;Alkalamide;TsNHCH2COOCH3;methyltosylglycinate;Roxadustat Impurity 26;isopropyl 2-acetyl-4-phenoxybenzoate;N-(Toluene-4-sulfonyl)glycine methyl ester;N-(Toluene-4-sulphonyl)glycine methyl ester;methyl 2-(4-methylphenylsulfonamido)acetate;Methyl N-[(4-methylphenyl)sulfonyl]glycinate
- CBNumber
- CB6855372
- Molecular Formula
- C10H13NO4S
- Formula Weight
- 243.28
- MOL File
- 2645-02-5.mol
Methyl 2-(4-methylphenylsulfonamido)acetate Property
- Melting point:
- 89-91°C
- Boiling point:
- 372.5±52.0 °C(Predicted)
- Density
- 1.261
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 9.09±0.50(Predicted)
- color
- White to Off-White
- InChI
- InChI=1S/C10H13NO4S/c1-8-3-5-9(6-4-8)16(13,14)11-7-10(12)15-2/h3-6,11H,7H2,1-2H3
- InChIKey
- GYQBPYXMRNEAKZ-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)CNS(C1=CC=C(C)C=C1)(=O)=O
Safety
- HS Code
- 2935909099
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
- M339660
- Product name
- Methyl2-(4-methylphenylsulfonamido)acetate
- Packaging
- 5g
- Price
- $55
- Updated
- 2021/12/16
- Product number
- R003
- Product name
- Methyl2-(4-methylphenylsulfonamido)acetate
- Packaging
- 25g
- Price
- $47
- Updated
- 2021/12/16
- Product number
- 211823
- Product name
- Methyl2-(4-methylphenylsulfonamido)acetate
- Purity
- 99%
- Packaging
- 100g
- Price
- $90
- Updated
- 2021/12/16
- Product number
- 8769-1-Y8
- Product name
- N-(Toluene-4-sulfonyl)glycine methyl ester
- Packaging
- 25g
- Price
- $125
- Updated
- 2021/12/16
- Product number
- 8769-1-Y8
- Product name
- N-(Toluene-4-sulfonyl)glycine methyl ester
- Packaging
- 100g
- Price
- $244
- Updated
- 2021/12/16
Methyl 2-(4-methylphenylsulfonamido)acetate Chemical Properties,Usage,Production
Synthesis
5680-79-5
98-59-9
2645-02-5
The general experimental procedure was as follows: glycine methyl ester hydrochloride (10 mmol) and sodium carbonate (2.1 g, 20 mmol) were dissolved in anhydrous dichloromethane (50 mL) and cooled in an ice bath. Subsequently, p-toluenesulfonyl chloride (1.9 g, 10 mmol) was added. The reaction mixture was stirred at room temperature overnight. After the reaction was completed, more dichloromethane was added and the organic layer was washed sequentially with 0.1 M hydrochloric acid, saturated sodium bicarbonate solution and brine. The organic phase was dried with anhydrous sodium sulfate and concentrated in vacuum to give the crude product. The crude product was purified by silica gel column chromatography using hexane and ethyl acetate (1:1) as eluent. Methyl 2-(4-methylphenylsulfonylamino)acetate (compound G2) was finally obtained in 78% yield as a white solid.1H NMR (400 MHz, CDCl3): δ 7.74 (d, J = 8.3 Hz, 2H, ArH), 7.31 (d, J = 8.3 Hz, 2H, ArH), 5.04 (t, J = 5.1 Hz, 1H, - NH-), 3.78 (d, J = 5.1 Hz, 2H, -CH2-), 3.64 (s, 3H, -OCH3), 2.42 (s, 3H, -CH3) ppm. 13C NMR (100 MHz, CDCl3): δ 169.4, 144.0, 136.3, 129.9, 127.4, 52.7, 44.2, 21.7 ppm. 21.7 ppm.Calculated elemental values [C10H13NO4S]: C, 49.37; H, 5.39; N, 5.76; S, 13.18.Measured values: C, 50.63; H, 5.09; N, 5.36; S, 12.87.
References
[1] Organic Letters, 2005, vol. 7, # 25, p. 5717 - 5719
[2] ChemMedChem, 2011, vol. 6, # 8, p. 1459 - 1470
[3] Journal of Medicinal Chemistry, 2013, vol. 56, # 18, p. 7190 - 7200
[4] Tetrahedron, 2008, vol. 64, # 52, p. 11884 - 11895
[5] ACS Medicinal Chemistry Letters, 2015, vol. 6, # 9, p. 982 - 986
Methyl 2-(4-methylphenylsulfonamido)acetate Preparation Products And Raw materials
Raw materials
Preparation Products
Methyl 2-(4-methylphenylsulfonamido)acetate Suppliers
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View Lastest Price from Methyl 2-(4-methylphenylsulfonamido)acetate manufacturers
- Product
- Methyl 2-(4-methylphenylsulfonamido)acetate 2645-02-5
- Price
- US $0.00/KG
- Min. Order
- 0.1KG
- Purity
- 99%
- Supply Ability
- 1000KGS
- Release date
- 2023-06-13
- Product
- Methyl 2-(4-methylphenylsulfonamido)acetate 2645-02-5
- Price
- US $100.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- Customized
- Release date
- 2018-07-26