L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-

Base Information

Chemical Name:L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-
CAS No.:139694-65-8
Molecular Formula:C31H41 N5 O7
Molecular Weight:595.693
Hs Code.:
DSSTox Substance ID:DTXSID70161152
Nikkaji Number:J454.786A
Wikidata:Q27149152
ChEMBL ID:CHEMBL3349847
Mol file:139694-65-8.mol

Synonyms:1-(3-(N-alpha-benzyloxycarbonyl-L-asparaginyl)amino-2-hydroxy-4-phenylbutyryl)-N-tert-butyl-L-prolinamide;KNI 102;KNI-102;RPI 312;RPI-312;Z-Asn-Apns-Pro-NH-t-But;Z-asparaginyl-allophenylnorstatinyl-t-butylproline amide

Suppliers and Price of L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-

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
KNI 102 95.00%
5MG
$ 504.60

Total 3 raw suppliers

Chemical Property of L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:964.2°Cat760mmHg
Flash Point:536.9°C
PSA：191.62000
Density:1.262g/cm³
LogP:4.12350
XLogP3:1.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:14
Exact Mass:595.30059866
Heavy Atom Count:43
Complexity:972

Purity/Quality:

97% ^*data from raw suppliers

KNI 102 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)NC(=O)C1CCCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)OCC3=CC=CC=C3)O
Isomeric SMILES:CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)O

Technology Process of L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-

There total 15 articles about L-Prolinamide, N2-((phenylmethoxy)carbonyl)-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)- 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: 86.0%

: 3256-57-3
N-benzyloxycarbonyl-L-asparagine p-nitrophenyl ester

: 153380-43-9
(S)-N-tert-butyl-1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutanoyl]pyrrolidine-2-carboxamide

: 139694-65-8
(S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(S)-2-benzyloxycarbonylaminosuccinamyl]amino-4-phenylbutanoyl]pyrrolidine-2-carboxamide

Guidance literature:: With TEA; benzotriazol-1-ol; In N,N-dimethyl-formamide;
DOI:10.1248/cpb.48.1310

Reference yield:

: 126015-23-4
(2S,3S)-3-[[(benzyloxy)carbonyl]amino]-2-hydroxy-4-phenylbutanoic acid methyl ester

: 139694-65-8
(S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(S)-2-benzyloxycarbonylaminosuccinamyl]amino-4-phenylbutanoyl]pyrrolidine-2-carboxamide

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / Pd/C / ethanol

2: tetrahydrofuran

3: NaOH / dioxane

4: HOBt, EDI / dimethylformamide

With sodium hydroxide; hydrogen; benzotriazol-1-ol; palladium on activated charcoal; In tetrahydrofuran; 1,4-dioxane; ethanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00085a020

Reference yield:

: 128018-18-8
L-proline tert-butylamide

: 139694-65-8
(S)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-[(S)-2-benzyloxycarbonylaminosuccinamyl]amino-4-phenylbutanoyl]pyrrolidine-2-carboxamide

Guidance literature:: Multi-step reaction with 3 steps

1: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl; TEA / dimethylformamide

2: HCl / dioxane; CH₂Cl₂ / 2 h

3: 86 percent / 1-hydroxybenzotriazol; TEA / dimethylformamide

With hydrogenchloride; TEA; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In 1,4-dioxane; dichloromethane; N,N-dimethyl-formamide;
DOI:10.1248/cpb.48.1310