ChemicalBook > CAS DataBase List > Boc-L-aspartic acid 4-benzyl ester

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
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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)
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Safety

Safety Statements 
22-24/25
WGK Germany 
3
TSCA 
Yes
HS Code 
2924 29 70
HazardClass 
IRRITANT
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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..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
8.53045
Product name
Boc-Asp(OBzl)-OH
Purity
Novabiochem?
Packaging
25g
Price
$49.2
Updated
2025/07/31
Sigma-Aldrich
Product number
8.53045
Product name
Boc-Asp(OBzl)-OH
Purity
Novabiochem?
Packaging
100g
Price
$131
Updated
2025/07/31
Sigma-Aldrich
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
Sigma-Aldrich
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
TCI Chemical
Product number
B1628
Product name
4-Benzyl N-(tert-Butoxycarbonyl)-L-aspartate
Purity
>98.0%(T)
Packaging
5g
Price
$40
Updated
2025/07/31
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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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Boc-L-aspartic acid 4-benzyl ester Suppliers

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View Lastest Price from Boc-L-aspartic acid 4-benzyl ester manufacturers

Shaanxi Dideu Medichem Co. Ltd
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
Hangzhou ICH Biofarm Co., Ltd
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
Career Henan Chemical Co
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

7536-58-5, Boc-L-aspartic acid 4-benzyl esterRelated Search:

Benzoyl peroxide Benzyl acetate Benzyl benzoate Benzyl butyrate L-Aspartic acid Benzyl alcohol L-ASPARTIC ACID Benzyl chloride Poly-L-aspartic acid Boc-L-aspartic acid 4-methyl ester AcidEster Benzyl N-ALPHA-T-BOC-L-ASPARTIC ACID BETA-BENZYL ESTER N-HYDROXYSUCCINIMIDE ESTER N-ALPHA-T-BOC-D-ASPARTIC ACID BETA-BENZYL ESTER,BOC-D-ASPARTIC ACID BETA-BENZYL ESTER,BOC-D-ASPARTIC ACID ALPHA-BENZYL ESTER,BOC-D-ASPARTIC ACID 4-BENZYL ESTER Boc-L-aspartic acid 1-benzyl ester L-Aspartic acid 4-benzyl ester Boc-Asp-OH Boc-L-aspartic acid β-benzyl ester N-carboxyanhydride

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  • (2S)-4-(BENZYLOXY)-2-[(TERT-BUTOXYCARBONYL)AMINO]-4-OXOBUTANOIC ACID
  • BOC-L-ASPARTIC ACID 4-BENZYL ESTER
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