CAS No.13798-75-9,BOC-ASP(OBZL)-OSU Suppliers,MSDS download

Products Categories

Pharmaceutical (19)
Organic Chemicals (12)
Others (5)

Basic Information

Molecular Structure:
CAS No.:	13798-75-9
Name:	BOC-ASP(OBZL)-OSU
Article Data:	12

Formula:	C₂₀H₂₄N₂O₈
Molecular Weight:	420.419
Synonyms:	Butanoicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxo-,phenylmethyl ester, (3S)- (9CI);Butanoic acid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxo-,phenylmethyl ester, (S)-;Succinimide, N-[(N-carboxy-L-a-aspartyl)oxy]-, benzyl N-tert-butylester (8CI);Aspartic acid, N-carboxy-, 4-benzyl N-tert-butyl ester,O-succinimido deriv (8CI);NSC 335041;Boc-Asp(OBzl)-OSU;
Density:	1.32g/cm3
Melting Point:	98-102 °C
PSA:	128.31000
LogP:	1.94920

Total:33 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 13798-75-9

Specification

The L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1-(2,5-dioxo-1-pyrrolidinyl)4-(phenylmethyl) ester, with the CAS registry number 13798-75-9, is also known as Boc-Asp(OBzl)-OSU. It belongs to the product categories of Amino Acid Derivatives and Amino Acids. This chemical's molecular formula is C₂₀H₂₄N₂O₈ and molecular weight is 420.41. What's more, its systematic name is 4-Benzyl 1-(2,5-dioxopyrrolidin-1-yl) N-(tert-butoxycarbonyl)aspartate and IUPAC name is 4-O-benzyl 1-O-(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate.

Physical properties about L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1-(2,5-dioxo-1-pyrrolidinyl)4-(phenylmethyl) ester are: (1) ACD/LogP: 1.92; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 1.92; (4) ACD/LogD (pH 7.4): 1.92; (5) ACD/BCF (pH 5.5): 16.83; (6) ACD/BCF (pH 7.4): 16.81; (7) ACD/KOC (pH 5.5): 262.61; (8) ACD/KOC (pH 7.4): 262.23; (9) #H bond acceptors: 10; (11) #H bond donors: 1; (12) #Freely Rotating Bonds: 11; (13) Polar Surface Area: 119.52 Å²; (14) Index of Refraction: 1.559; (15) Molar Refractivity: 102.86 cm³; (16) Molar Volume: 318.1 cm³; (17) Polarizability: 40.77×10^-24cm³; (18) Surface Tension: 56.1 dyne/cm; (19) Density: 1.32 g/cm³; (20) Melting point: 98-102 °C.

Preparation of L-Aspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-, 1-(2,5-dioxo-1-pyrrolidinyl)4-(phenylmethyl) ester: this chemical is prepared by reaction of with N-Hydroxy-succinimide and BOC-L-aspartic acid 4-benzyl ester.

This reaction needs reagent N,N'-Dicyclohexylcarbodiimide and solvent Dioxane at the ambient temperature. The reaction time is 20 hours. The yield is 35%.

Uses of L-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-, 1-(2,5-dioxo-1-pyrrolidinyl)4-(phenylmethyl) ester: it is used to produce other chemicals. For example, it is used to produce Boc-Asp(OBzl)-Pro-OH.

The reaction occurs with reagent Et₃N and other condition of heating for 24 hours. The yield is 90 %.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)ON2C(=O)CCC2=O
(2) InChI: InChI=1S/C20H24N2O8/c1-20(2,3)29-19(27)21-14(18(26)30-22-15(23)9-10-16(22)24)11-17(25)28-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,27)
(3) InChIKey: KEULITJLZYZYPU-UHFFFAOYSA-N.