Chemical Boc-L-aspartic acid 4-tert-butyl ester Safety Information

CAS No:1676-90-0
Formula:C13H23NO6
Synonyms:4-tert-Butyl N-(tert-Butoxycarbonyl)-L-aspartate;N-(tert-Butoxycarbonyl)-L-aspartic Acid 4-tert-Butyl Ester4-tert-Butyl N-Boc-L-aspartateN-Boc-L-aspartic Acid 4-tert-Butyl EsterBoc-Asp(OtBu)-OH;(2S)-4-tert-butoxy-2-[(tert-butoxycarbonyl)aMino]-4-oxobutanoic acid;N-Boc-L-aspartic acid 4-tert-butyl ester, 98%;N-tert-Butyloxycarbonyl-L-aspartic Acid β-tert-Butyl Ester;Boc-L-aspartic acid ?-tert-butyl ester99%;BOC-L-ASP(OTBU)-OH;BOC-L-ASP(TBU)-OH
China Export:From 2018.11 to 2019.11, total export volume of Boc-L-aspartic acid 4-tert-butyl ester from China was 142,525,094KG while total export value was $444,383,535. The biggest proportion of exporting volume in the last 12 months was 9.47% in 2018.11.

Chemical Boc-L-aspartic acid 4-tert-butyl ester Basic Attributes
CAS No:1676-90-0

Molecular Formula :C13H23NO6

Molecular Mass :289.32

Exact Mass :289.152527

PSA :102 A^2

LogP :1.4

InChIKeys :PHJDCONJXLIIPW-QMMMGPOBSA-N

H-bond Acceptor :6

H-bond Donor :2

SP3 :0.77

RBN :8

Chemical Boc-L-aspartic acid 4-tert-butyl ester Characteristics
Appearance :White Powder

Density :1.139±0.06 g/cm3(Predicted)

Melting Point :64-67 °C

Bolling Point :432.6±40.0 °C(Predicted)

Flash Point :215.4±27.3 °C

Refractive Index :1.470

Solubility :Soluble in methanol and dimethyl sulfoxide.

Storage Condition :2-8°C

Specific Rotation :2 º (c=1% in MeOH)

Chemical Boc-L-aspartic acid 4-tert-butyl ester Safety Information
Hazard Class :IRRITANT

HS Code :29241990

UN No. :NONH for all modes of transport

WGK_Germany :3

Safety Instructions :24/25

Chemical Boc-L-aspartic acid 4-tert-butyl ester Production Methods
2.1. Preparation of Boc-Asp(O-tBu)-NCA (II-a)This method consisted in the cyclization of the free carboxylic acid with a main chain with one of the Bocs protecting the amine function, therefore first of all requiring the preparation of (Boc)General procedure: L-Aspartic acid 4-tert-butyl ester 4a (1.89 g, 10 mmol) was dissolved in a mixture of tetrahydrofuran (20 mL) and water (12 mL) at 0°C. After stirring for 5 minutes, di-tert-butyl dicarbonate (4.35 g, 2 eq.) was added in small portions followed by sodium carbonate (4.20 g, 4 eq.). The reaction was stirred at room temperature for 24 hours before evaporating the solvents under reduced pressure. The residue was dissolved in 10percent aqueous sodium hydrogen carbonate solution (50 mL), washed with diethyl ether (3 x 20 mL) and citric acid was added until pH 4.0 was reached. The product was extracted with ethyl acetate (3 x 100 mL) and the combined organic phases were dried over magnesium sulfate, filtered and evaporated to give pure 4-tert-butoxy-2-(tert-butoxycarbonylamino)-4-oxobutanoic acid 5a as a colourless oil (2.82 g, 97percent).(2S)-2-(tert-Butoxycarbonylamino)-4-tert-butoxy-4-oxo-butanoic acid is commercially available. The compound was prepared from commercial H-L-Asp(OtBu)-OH (5.68 g, 30.0 mmol) and Boc

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