D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester
- Product Name
- D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester
- CAS No.
- 124184-67-4
- Chemical Name
- D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester
- Synonyms
- Boc-D-aspartate 4-methyl ester;N-Boc-aspartic acid 4-methyl ester;(Tert-Butoxy)Carbonyl D-Asp(OMe)-OH;N-Boc-D-aspartic Acid 4-Methyl Ester;Boc-D-aspartic acid-beta-Methyl ester;(R)-2-((tert-Butoxycarbonyl)aMino)-4-Methoxy-4-oxobutanoic acid;D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester;(2R)-2-{[(tert-butoxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid;(2R)-4-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
- CBNumber
- CB52506264
- Molecular Formula
- C10H17NO6
- Formula Weight
- 247.25
- MOL File
- 124184-67-4.mol
D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester Property
- Boiling point:
- 411.5±40.0 °C(Predicted)
- Density
- 1.209±0.06 g/cm3(Predicted)
- storage temp.
- 2-8°C
- pka
- 3.65±0.23(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- Consistent with structure
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Warning
- Hazard statements
-
H227Combustible liquid
H302Harmful if swallowed
H315Causes skin irritation
H319Causes serious eye irritation
H335May cause respiratory irritation
- Precautionary statements
-
P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P261Avoid breathing dust/fume/gas/mist/vapours/spray.
P264Wash hands thoroughly after handling.
P264Wash skin thouroughly after handling.
P270Do not eat, drink or smoke when using this product.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P302+P352IF ON SKIN: wash with plenty of soap and water.
P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P330Rinse mouth.
P332+P313IF SKIN irritation occurs: Get medical advice/attention.
P337+P313IF eye irritation persists: Get medical advice/attention.
P362Take off contaminated clothing and wash before reuse.
P370+P378In case of fire: Use … for extinction.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P403+P235Store in a well-ventilated place. Keep cool.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- B603043
- Product name
- Boc-D-Asp(OMe)-OH
- Packaging
- 50mg
- Price
- $60
- Updated
- 2021/12/16
- Product number
- AS42911-2R
- Product name
- (R)-2-((Boc)amino)-4-methoxy-4-oxobutanoic acid
- Purity
- 95% ee
- Packaging
- 1g
- Price
- $31
- Updated
- 2021/12/16
- Product number
- CS-W018903
- Product name
- Boc-D-Asp(OMe)-OH
- Packaging
- 5g
- Price
- $59
- Updated
- 2021/12/16
- Product number
- AS42911-2R
- Product name
- (R)-2-((Boc)amino)-4-methoxy-4-oxobutanoic acid
- Purity
- 95% ee
- Packaging
- 5G
- Price
- $116
- Updated
- 2021/12/16
- Product number
- AS42911-2R
- Product name
- (R)-2-((Boc)amino)-4-methoxy-4-oxobutanoic acid
- Purity
- 95% ee
- Packaging
- 25g
- Price
- $336
- Updated
- 2021/12/16
D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester Chemical Properties,Usage,Production
Synthesis
24424-99-5
16856-13-6
59768-74-0
3.74 g (20.5 mmol) of L-aspartic acid-β-methyl ester hydrochloride was dissolved in 85 mL of dioxane/H2O (2:1) mixed solvent at 0 °C, to which 2.21 g (20.8 mmol) of Na2CO3 was added. 30 min later, another 2.21 g (20.8 mmol) of Na2CO3 and 5 g ( 25.7 mmol) di-tert-butyl dicarbonate (Boc2O), followed by stirring the reaction at room temperature overnight. Upon completion of the reaction, the solvent was removed by vacuum concentration and the residue was poured into 60 mL of ice water. The aqueous layer was washed with 2 x 25 mL of ether and then acidified with 100 mL of 1 M NaHSO4 to pH=3, after which the aqueous layer was extracted with ether (3 x 75 mL). The organic layers were combined and dried with MgSO4. After filtration and evaporation of the solvent, the residue was purified by column chromatography using ethyl acetate as eluent to afford the target product 2-(S)-(tert-butoxycarbonylamino)-(methoxycarbonyl)butanoic acid in 75% yield. The product was a white solid with an Rf value of 0.50 (ethyl acetate) and [α]D=+28.6 (c=0.3; CHCl3).IR Spectrum (cm-1): 3429 (NH), 2979 (CH), 1714 (C=O), 1509,1438,1394,1367,1156,1057,1026,843,780. 734.1H NMR (300 MHz, CDCl3): δ (ppm) = 1.42 (s, 9H, CH3), 2.82 (dd, J=4.8,17.2 Hz, 1H, CH2), 3.02 (dd, J=17.2,4.1 Hz, 1H, CH2), 3.69 (s, 3H, OCH3), 4.59-4.62 ( m, 1H, CHN), 5.57 (d, J=8.5 Hz, 1H, NHBoc), 10.8 (sl, 1H, COOH).13C NMR (75 MHz, CDCl3): δ (ppm) = 28.2 (CH3), 36.4 (CH2), 49.7 (CHN), 52.1 (OCH3), 80.5 (C(CH3 )3), 155.6 (COO), 171.6 (COO), 175.8 (COO). Elemental analysis (C10H17NO6) Calculated values: C 48.58, H 6.93, N 5.67; measured values: C 48.64, H 7.04, N 5.68.
References
[1] Heterocycles, 1997, vol. 46, # 1, p. 335 - 348
[2] Journal of Organic Chemistry, 1988, vol. 53, # 9, p. 1900 - 1903
[3] Chemical Communications, 2001, # 18, p. 1710 - 1711
[4] Patent: WO2013/30193, 2013, A1. Location in patent: Page/Page column 30; 31
[5] RSC Advances, 2015, vol. 5, # 88, p. 71868 - 71872
D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester Preparation Products And Raw materials
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View Lastest Price from D-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 4-methyl ester manufacturers
- Product
- Boc-D-Asp(Ome)-OH 124184-67-4
- Price
- US $0.00-0.00/kg
- Min. Order
- 1kg
- Purity
- 98%
- Supply Ability
- 1T+
- Release date
- 2023-09-21