t-Butyloxycarbonyl-asparaginylproline benzyl ester

Base Information

Chemical Name:t-Butyloxycarbonyl-asparaginylproline benzyl ester
CAS No.:35930-84-8
Molecular Formula:C21H29 N3 O6
Molecular Weight:0
Hs Code.:
DSSTox Substance ID:DTXSID70189497
Wikidata:Q83061607
Mol file:35930-84-8.mol

Synonyms:Boc-APOBzl;Boc-L-Asn-L-Pro-OBzl;t-butyloxycarbonyl-asparaginylproline benzyl ester

Suppliers and Price of t-Butyloxycarbonyl-asparaginylproline benzyl ester

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

Total 3 raw suppliers

Chemical Property of t-Butyloxycarbonyl-asparaginylproline benzyl ester

Chemical Property:

Vapor Pressure:1.1E-16mmHg at 25°C
Boiling Point:648.1°Cat760mmHg
Flash Point:345.8°C
PSA：132.51000
Density:1.239g/cm³
LogP:2.78150
XLogP3:1.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:419.20563565
Heavy Atom Count:30
Complexity:639

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2
Isomeric SMILES:CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)OCC2=CC=CC=C2

Technology Process of t-Butyloxycarbonyl-asparaginylproline benzyl ester

There total 2 articles about t-Butyloxycarbonyl-asparaginylproline benzyl ester 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%

: 7536-55-2
N-tert-butyloxycarbonylasparagine

: 16652-71-4
benzyl (2S)-2-pyrrolidinecarboxylate hydrochloride

: 35930-84-8
Boc-Asn-Pro-OBzl

Guidance literature:: With benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; In dichloromethane; Ambient temperature;
DOI:10.1246/bcsj.63.484

Reference yield: 60.0%

: 7536-55-2
N-tert-butyloxycarbonylasparagine

: 41324-66-7
H-Pro-OBzl

: 35930-84-8
Boc-Asn-Pro-OBzl

Guidance literature:: With N,N'-Bis(2-oxo-3-oxazolidinyl)phosphorodiamidic azide; triethylamine; In dichloromethane;

Reference yield:

: 35930-84-8
Boc-Asn-Pro-OBzl

: 122418-41-1
Boc-(Asn-Ala-Asn-Pro)2-OBzl

Guidance literature:: Multi-step reaction with 3 steps

1: 1) 3.5 M HCl/AcOEt, 2) 1-hydroxy-1H-benzotriazole, dicyclohexylcarbodiimide / 1) cooling in ice, 2 h, 2) CH₂Cl₂, 0 deg C, 2h, 3) room temp.

2: 1) TFA, 2) N-methylmorpholine, 1-hydroxy-1H-benzotriazole, dicyclohexylcarbodiimide / 1) anisole, room temp., 1 h, 2) DMF

3: 1) trifluoroacetic acid, 2) N-methylmorpholine, 1-hydroxy-1H-benzotriazole, dicyclohexylcarbodiimide / 1) anisole, 2) DMF, ice cooling, 2 h, 3) room temp., 48 h

With 4-methyl-morpholine; hydrogenchloride; benzotriazol-1-ol; ethyl acetate; dicyclohexyl-carbodiimide; trifluoroacetic acid;
DOI:10.1246/bcsj.63.484