H-bAla(2-OH,3-Bn)-DL-Leu-DL-Pro-DL-Pro-OH

Base Information

Chemical Name:H-bAla(2-OH,3-Bn)-DL-Leu-DL-Pro-DL-Pro-OH
CAS No.:123652-87-9
Molecular Formula:C₂₆H₃₈N₄O₆
Molecular Weight:502.611
Hs Code.:
Metabolomics Workbench ID:98575
Pharos Ligand ID:HP3BBWZ18XLL,HP3U1AUFX6H6
Wikidata:Q103817660
Mol file:123652-87-9.mol

Synonyms:3-amino-2-hydroxy-4-phenylbutanoyl-leucyl-prolyl-proline;probestin

Suppliers and Price of H-bAla(2-OH,3-Bn)-DL-Leu-DL-Pro-DL-Pro-OH

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
PROBESTIN 95.00%
5MG
$ 495.13

Total 3 raw suppliers

Chemical Property of H-bAla(2-OH,3-Bn)-DL-Leu-DL-Pro-DL-Pro-OH

Chemical Property:

Vapor Pressure:4.72E-30mmHg at 25°C
Boiling Point:841.3°Cat760mmHg
Flash Point:462.6°C
PSA：153.27000
Density:1.283g/cm³
LogP:1.48180
XLogP3:-0.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:502.27913494
Heavy Atom Count:36
Complexity:799

Purity/Quality:

>98% ^*data from raw suppliers

PROBESTIN 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)NC(=O)C(C(CC3=CC=CC=C3)N)O

Technology Process of H-bAla(2-OH,3-Bn)-DL-Leu-DL-Pro-DL-Pro-OH

There total 14 articles about H-bAla(2-OH,3-Bn)-DL-Leu-DL-Pro-DL-Pro-OH 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: 85.0%

: 612096-25-0
(S)-1-{(S)-1-[(S)-2-((2S,3R)-3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butyrylamino)-4-methyl-pentanoyl]-pyrrolidine-2-carbonyl}-pyrrolidine-2-carboxylic acid

: 123652-87-9
1-{1-[2-(3-amino-2-hydroxy-4-phenylbutyrylamino)-4-methyl-pentanoyl]pyrrolidine-2-carbonyl}-pyrrolidinme-2-carboxylic acid

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 12h;
DOI:10.1016/S0040-4039(03)01799-4

Reference yield:

: 246506-80-9
1-{1-[2-(3-tert-butoxycarbonylamino-2-hydroxy-4-phenylbutyrylamino)-4-methyl-pentanoyl]pyrrolidine-2-carbonyl}-pyrrolidine-2-carboxylic acid benzyl ester

: 123652-87-9
1-{1-[2-(3-amino-2-hydroxy-4-phenylbutyrylamino)-4-methyl-pentanoyl]pyrrolidine-2-carbonyl}-pyrrolidinme-2-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 94 percent / hydrogen / Pd/C / methanol / 3 h / 20 °C

2: 85 percent / TFA / CH₂Cl₂ / 12 h / 20 °C

With hydrogen; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane;
DOI:10.1016/S0040-4039(03)01799-4

Reference yield:

: 246506-79-6
(S)-benzyl 2-((2S,3R)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutanamido)-4-methylpentanoate

: 123652-87-9
1-{1-[2-(3-amino-2-hydroxy-4-phenylbutyrylamino)-4-methyl-pentanoyl]pyrrolidine-2-carbonyl}-pyrrolidinme-2-carboxylic acid

Guidance literature:: Multi-step reaction with 4 steps

1: 95 percent / hydrogen / Pd/C / methanol / 3 h / 20 °C

2: 86 percent / EDAC; HOBt; DIPEA / dimethylformamide; CH₂Cl₂ / 12 h / 20 °C

3: 94 percent / hydrogen / Pd/C / methanol / 3 h / 20 °C

4: 85 percent / TFA / CH₂Cl₂ / 12 h / 20 °C

With hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In methanol; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1016/S0040-4039(03)01799-4