Boc-L-aspartic acid 4-benzyl ester
- Product Name
- Boc-L-aspartic acid 4-benzyl ester
- CAS No.
- 7536-58-5
- Chemical Name
- Boc-L-aspartic acid 4-benzyl ester
- Synonyms
- BOC-ASP(OBZL)-OH;BOC-ASP(OBZL);(S)-4-(Benzyloxy)-2-((tert-butoxycarbonyl)aMino)-4-oxobutanoic acid;N-BOC-L-ASPARTIC ACID 4-BENZYL ESTER;BOC-L-ASP(OBZL);3oc-Asp(OBzI)-0H;BOC-L-ASP(BZL)-OH;BOC-L-ASP(OBZL)-OH;L-Boc-Asp(OBzl)-OH;D2001Boc-Asp(Obzl)-Oh
- CBNumber
- CB8673002
- Molecular Formula
- C16H21NO6
- Formula Weight
- 323.34
- MOL File
- 7536-58-5.mol
Boc-L-aspartic acid 4-benzyl ester Property
- Melting point:
- 98-102 °C(lit.)
- alpha
- -20 º (c=2, DMF)
- Boiling point:
- 461.82°C (rough estimate)
- Density
- 1.1728 (rough estimate)
- refractive index
- -20 ° (C=2, DMF)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- almost transparency in N,N-DMF
- pka
- 3.65±0.23(Predicted)
- form
- Powder
- color
- White to off-white
- optical activity
- [α]20/D 20.0±1°, c = 2% in DMF
- BRN
- 2064127
- InChI
- InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1
- InChIKey
- SOHLZANWVLCPHK-LBPRGKRZSA-N
- SMILES
- C(O)(=O)[C@H](CC(OCC1=CC=CC=C1)=O)NC(OC(C)(C)C)=O
- CAS DataBase Reference
- 7536-58-5(CAS DataBase Reference)
- EPA Substance Registry System
- N-tert-Butoxycarbonyl-L-aspartic acid .beta.-benzyl ester (7536-58-5)
Safety
- Safety Statements
- 22-24/25
- WGK Germany
- 3
- TSCA
- Yes
- HS Code
- 2924 29 70
- HazardClass
- IRRITANT
Hazard and Precautionary Statements (GHS)
- Symbol(GHS)
-
- Signal word
- Danger
- Hazard statements
-
H301Toxic if swalloed
H311Toxic in contact with skin
H331Toxic if inhaled
- Precautionary statements
-
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.
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.
P310Immediately call a POISON CENTER or doctor/physician.
P330Rinse mouth.
P361Remove/Take off immediately all contaminated clothing.
P403+P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents/container to..…
N-Bromosuccinimide Price
- Product number
- 8.53045
- Product name
- Boc-Asp(OBzl)-OH
- Purity
- Novabiochem?
- Packaging
- 25g
- Price
- $49.2
- Updated
- 2025/07/31
- Product number
- 8.53045
- Product name
- Boc-Asp(OBzl)-OH
- Purity
- Novabiochem?
- Packaging
- 100g
- Price
- $131
- Updated
- 2025/07/31
- Product number
- 15386
- Product name
- Boc-Asp(OBzl)-OH
- Purity
- ≥99.0% (sum of enantiomers, HPLC)
- Packaging
- 5g
- Price
- $43.3
- Updated
- 2025/07/31
- Product number
- 15386
- Product name
- Boc-Asp(OBzl)-OH
- Purity
- ≥99.0% (sum of enantiomers, HPLC)
- Packaging
- 25g
- Price
- $96.2
- Updated
- 2023/06/20
- Product number
- B1628
- Product name
- 4-Benzyl N-(tert-Butoxycarbonyl)-L-aspartate
- Purity
- >98.0%(T)
- Packaging
- 5g
- Price
- $40
- Updated
- 2025/07/31
Boc-L-aspartic acid 4-benzyl ester Chemical Properties,Usage,Production
Chemical Properties
white to off-white powder
Uses
N-?[(1,?1-?Dimethylethoxy)?carbonyl]?-?L-?Aspartic acid 4-?(Phenylmethyl) Ester is L-Aspartic Acid (A790024) with side chain and N-terminus protected. L-Aspartic Acid is a non-essential amino acid found in food sources.
reaction suitability
reaction type: Boc solid-phase peptide synthesis
Synthesis
24424-99-5
2177-63-1
7536-58-5
The general procedure for the synthesis of (S)-4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoic acid from di-tert-butyl dicarbonate and L-aspartic acid-4-benzyl ester is as follows: in a round-bottomed flask, L-aspartic acid-4-benzyl ester (79.7 g, 357 mmol), sodium bicarbonate (60 g, 714.2 mmol), water (700 mL), and tetrahydrofuran (550 mL). The reaction system was cooled to 0 °C, followed by the slow addition of di-tert-butyl dicarbonate (105 g, 481 mmol) to the reaction vial. After the dropwise addition, the reaction was kept at 0 °C for half an hour, then slowly warmed up to room temperature and continued stirring for 12 hours. After completion of the reaction, tetrahydrofuran was removed by distillation under reduced pressure. The aqueous phase was washed with ethyl acetate (20 mL), followed by adjusting the pH with 10% aqueous citric acid (10 mL) to 1. The aqueous phase was extracted with ethyl acetate (200 mL x 2) and the organic phases were combined. The organic phase was washed sequentially with saturated saline (100 mL × 2) and dried over anhydrous sodium sulfate. After filtration, the solvent was evaporated under reduced pressure to give a white solid product (104 g, 90% yield).
References
[1] Patent: CN106866502, 2017, A. Location in patent: Paragraph 0230-0234
[2] Organic Syntheses, 1985, vol. 63, p. 160 - 160
[3] Tetrahedron Letters, 1991, vol. 32, # 45, p. 6637 - 6640
[4] Asian Journal of Chemistry, 2014, vol. 26, # 19, p. 6541 - 6548
[5] Journal of the American Chemical Society, 2004, vol. 126, # 42, p. 13612 - 13613
Boc-L-aspartic acid 4-benzyl ester Preparation Products And Raw materials
Raw materials
Preparation Products
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View Lastest Price from Boc-L-aspartic acid 4-benzyl ester manufacturers
- Product
- Boc-L-aspartic acid 4-benzyl ester 7536-58-5
- Price
- US $1.10/g
- Min. Order
- 1g
- Purity
- 99.0% min
- Supply Ability
- 100 tons min
- Release date
- 2021-05-25
- Product
- Boc-Asp(OBzl)-OH 7536-58-5
- Price
- US $0.00/Box
- Min. Order
- 1Box
- Purity
- 99%
- Supply Ability
- 200kg
- Release date
- 2023-06-26
- Product
- Boc-L-aspartic acid 4-benzyl ester 7536-58-5
- Price
- US $1.00/KG
- Min. Order
- 1KG
- Purity
- 99%
- Supply Ability
- 1000KG
- Release date
- 2018-08-15