H-ASP(OBZL)-OTBU HCL

Base Information

• Chemical Name: H-ASP(OBZL)-OTBU HCL
• CAS No.: 94347-11-2
• Molecular Formula: C15H21NO4
• Molecular Weight: 279.336
• Hs Code.: 2922499990
• Mol file: 94347-11-2.mol

Synonyms:L-ASPARTIC ACID BETA-BENZYL ALPHA-T-BUTYL-DIESTER HYDROCHLORIDE;L-ASPARTIC ACID BETA-BENZYL ESTER ALPHA-T-BUTYL ESTER HYDROCHLORIDE;H-ASP(OBZL)-OTBU HCL;L-ASPARTIC ACID B-BENZYL A-T-BUTYL-DIESTER HYDROCHLORIDE;(S)-4-Benzyl 1-tert-butyl 2-aMinosuccinate hydrochloride;L-Aspartic acid beta-benzyl ester alfa-t-butyl ester HCl

Chemical Property of H-ASP(OBZL)-OTBU HCL

Chemical Property:

• Boiling Point: 381.3±32.0 °C(Predicted)
• PKA: 5.82±0.33(Predicted)
• PSA: 78.62000
• Density: 1.122±0.06 g/cm3(Predicted)
• LogP: 3.29120

Purity/Quality:

98%,99%, ^*data from raw suppliers

H-Asp(OBzl)-OtBu 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of H-ASP(OBZL)-OTBU HCL

There total 8 articles about H-ASP(OBZL)-OTBU HCL which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)succinic acid 4-benzyl ester 1-tert-butyl ester (168261-64-1) → 4-benzyl 1-t-butyl L-aspartate (94347-11-2)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 6h; Inert atmosphere;

DOI:10.1039/b818606e

Reference yield: 77.0%

acetic acid tert-butyl ester (540-88-5) + (S)-2-amino-4-(benzyloxy)-4-oxobutanoic acid (2177-63-1,25248-99-1) → 4-benzyl 1-t-butyl L-aspartate (94347-11-2)

Guidance literature:

With perchloric acid; In water; at 20 ℃; for 18h;

Reference yield:

benzyl bromide (100-39-0) → 4-benzyl 1-t-butyl L-aspartate (94347-11-2)

Guidance literature:

Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / acetone / 0 - 20 °C / Inert atmosphere

2: piperidine / dichloromethane / 1 h / 0 °C / Inert atmosphere

With piperidine; N-ethyl-N,N-diisopropylamine; In dichloromethane; acetone;

DOI:10.1021/acsmedchemlett.7b00544

upstream raw materials:

acetic acid tert-butyl ester

(S)-2-amino-4-(benzyloxy)-4-oxobutanoic acid

dibenzyl L-aspartate toluene-4-sulphonate

toluene-4-sulfonic acid

Downstream raw materials:

(2S)-4-benzyl 1-tert-butyl N-benzylaspartate

(2S)-4-benzyl 1-tert-butyl N,N-dibenzylaspartate

(S)-2-((S)-2-tert-butoxycarbonylaminopropionylamino)succinic acid 4-benzyl ester 1-tert-butyl ester

Refernces

• 1、 -. "2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS". Paragraph 00302. . Retrieved 2018/08/20.
• 2、 Foley, David,Bailey, Patrick,Pieri, Myrtani,Meredith, David. "Targeting ketone drugs towards transport by the intestinal peptide transporter, PepT1". supporting information; scheme or table. p. 1064 - 1067. Retrieved 2009/05/30.