Boc-CH2Ph-Leu-NH2

Base Information

Chemical Name:Boc-CH2Ph-Leu-NH2
CAS No.:126409-30-1
Molecular Formula:C₃₀H₄₃N₃O₅
Molecular Weight:525.689
Hs Code.:
DSSTox Substance ID:DTXSID90155179
Nikkaji Number:J380.521B
ChEMBL ID:CHEMBL99412

Synonyms:Boc-CH2Ph-Leu-NH2;126409-30-1;6-Phenyl-5-(N-t-butyloxycarbonylamino)-4-hydroxy-2-benzyl-1-leucylamide-hexanone;Carbamic acid, (5-((1-(aminocarbonyl)-3-methylbutyl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*)))-;CHEMBL99412;BDBM1256;DTXSID90155179;(2S)-2-[[(2R,4S,5S)-2-Benzyl-5-[(tert-butyloxycarbonyl)amino]-4-hydroxy-6-phenylhexanoyl]amino]-4-methylvaleramide;N-[5(S)-[(tert-Butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]-L-leucine amide;tert-butyl N-[(1S,2S,4R)-1,4-dibenzyl-5-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-hydroxy-5-oxo-pentyl]carbamate;tert-butyl N-[(2S,3S,5R)-5-benzyl-5-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamate

Suppliers and Price of Boc-CH2Ph-Leu-NH2

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 1 raw suppliers

Chemical Property of Boc-CH2Ph-Leu-NH2

Chemical Property:

Vapor Pressure:1.37E-25mmHg at 25°C
Boiling Point:779.6°Cat760mmHg
Flash Point:425.3°C
Density:1.129g/cm³
XLogP3:4.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:15
Exact Mass:525.32027148
Heavy Atom Count:38
Complexity:739

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O
Isomeric SMILES:CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

Technology Process of Boc-CH2Ph-Leu-NH2

There total 4 articles about Boc-CH2Ph-Leu-NH2 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:

: 98818-51-0
N-(1,1-dimethylethoxycarbonyl)-5(S)-amino-4(S)-(t-butyldimethylsilyloxy)-6-phenyl-2(R)-(phenylmethyl)hexanoic acid

: 126409-30-1
[(1S,2S,4R)-1-Benzyl-4-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1-hydroxybenzotriazole (HOBT), 1-ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride (EDC), triethylamine / dimethylformamide / 18 h / Ambient temperature

2: tetrabutylammonium fluoride (TBAF) / tetrahydrofuran / 20 h / Ambient temperature

With tetrabutyl ammonium fluoride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm00113a025

Reference yield:

: 10466-61-2
(2S)-amino-4-methylpentanamide hydrochloride

: 126409-30-1
[(1S,2S,4R)-1-Benzyl-4-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1-hydroxybenzotriazole (HOBT), 1-ethyl-3-<3-(dimethylamino)propyl>carbodiimide hydrochloride (EDC), triethylamine / dimethylformamide / 18 h / Ambient temperature

2: tetrabutylammonium fluoride (TBAF) / tetrahydrofuran / 20 h / Ambient temperature

With tetrabutyl ammonium fluoride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm00113a025

Reference yield:

: 98818-41-8
(3R,5S)-3-benzyl-5-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-phenylethyl}dihydrofuran-2-(3H)-one

: 126409-30-1
[(1S,2S,4R)-1-Benzyl-4-((S)-1-carbamoyl-3-methyl-butylcarbamoyl)-2-hydroxy-5-phenyl-pentyl]-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 1 M LiOH / 1,2-dimethoxy-ethane / 3 h / Ambient temperature

2: imidazole / dimethylformamide / 18 h / Ambient temperature

3: MeOH / 1 h

4: EDC, HOBt / dimethylformamide / pH = 8.0-9.0

5: tetrabutylammonium fluoride / tetrahydrofuran / 18 h / Ambient temperature

With 1H-imidazole; methanol; lithium hydroxide; tetrabutyl ammonium fluoride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; 1,2-dimethoxyethane; N,N-dimethyl-formamide;
DOI:10.1021/jm00107a050