propan-2-yl 4-cyclohexyl-2-hydroxy-3-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoyl]amino]butanoate

Base Information

Chemical Name:propan-2-yl 4-cyclohexyl-2-hydroxy-3-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoyl]amino]butanoate
CAS No.:128053-53-2
Deprecated CAS:122089-24-1
Molecular Formula:C38H51 N5 O7
Molecular Weight:689.8408
Hs Code.:
DSSTox Substance ID:DTXSID60924076

propan-2-yl 4-cyclohexyl-2-hydroxy-3-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoyl]amino]butanoate

Synonyms:Cyclohexanebutanoic acid, alpha-hydroxy-beta-((3-(1H-imidazol-4-yl)-2-((4-(4-morpholinyl)-2-(1-naphthalenylmethyl)-1,4-dioxobutyl)amino)-1-oxopropyl)amino)-, 1-methylethyl ester;isopropyl 3-(((N-(3-morpholinocarbonyl)-2-(1-naphthylmethyl)propionyl)histidyl)amino)-4-cyclohexyl-2-hydroxybutyrate;isopropyl 3-(N-(2-(1-naphthylmethyl)-3-(morpholinocarbonyl)propionyl)-L-histidyl)amino-4-cyclohexyl-2-hydroxybutyrate;KRI 1314;KRI-1314

Suppliers and Price of propan-2-yl 4-cyclohexyl-2-hydroxy-3-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoyl]amino]butanoate

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
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price

Total 2 raw suppliers

Chemical Property of propan-2-yl 4-cyclohexyl-2-hydroxy-3-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoyl]amino]butanoate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1005.1°Cat760mmHg
Flash Point:561.7°C
Density:1.234g/cm³
XLogP3:4.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:16
Exact Mass:689.37884898
Heavy Atom Count:50
Complexity:1110

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC(=O)C(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC4=CC=CC=C43)CC(=O)N5CCOCC5)O
Isomeric SMILES:CC(C)OC(=O)C(C(CC1CCCCC1)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CC=CC4=CC=CC=C43)CC(=O)N5CCOCC5)O

Technology Process of propan-2-yl 4-cyclohexyl-2-hydroxy-3-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoyl]amino]butanoate

There total 11 articles about propan-2-yl 4-cyclohexyl-2-hydroxy-3-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-4-morpholin-4-yl-2-(naphthalen-1-ylmethyl)-4-oxobutanoyl]amino]propanoyl]amino]butanoate 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:

: 121506-22-7
(2R,3S)-nor-C-statine hydrochloride

: 128053-53-2
KRI-1314

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / HCl / 1 h / 80 °C

2: 1.) aq. NaOH; 2.) dicyclohexylcarbodiimide, N-hydroxy-5-norbornene-2,3-dicarboximide / 1.) 18 h; 2.) 18 h

With hydrogenchloride; sodium hydroxide; N-hydroxy-5-norbornene-2,3-dicarboximide; dicyclohexyl-carbodiimide;
DOI:10.1039/c39890001678

Reference yield:

: 125702-08-1
2-(1-Naphthylmethylidene)succinic Acid

: 128053-53-2
KRI-1314

Guidance literature:: Multi-step reaction with 4 steps

1: 1.) Ac₂O / 1.) 60 deg C, 1 h; 2.) 2 h

2: H₂ / Pd/C / 14 h

3: dicyclohexylcarbodiimide, N-hydroxy-5-norbornene-2,3-dicarboximide / 18 h

4: 1.) aq. NaOH; 2.) dicyclohexylcarbodiimide, N-hydroxy-5-norbornene-2,3-dicarboximide / 1.) 18 h; 2.) 18 h

With sodium hydroxide; N-hydroxy-5-norbornene-2,3-dicarboximide; hydrogen; acetic anhydride; dicyclohexyl-carbodiimide; palladium on activated charcoal;
DOI:10.1039/c39890001678

Reference yield:

: 66-77-3
1-naphthaldehyde

: 128053-53-2
KRI-1314

Guidance literature:: Multi-step reaction with 6 steps

1: NaOMe / 2 h / Heating

2: aq. NaOH / 2 h / Heating

3: 1.) Ac₂O / 1.) 60 deg C, 1 h; 2.) 2 h

4: H₂ / Pd/C / 14 h

5: dicyclohexylcarbodiimide, N-hydroxy-5-norbornene-2,3-dicarboximide / 18 h

6: 1.) aq. NaOH; 2.) dicyclohexylcarbodiimide, N-hydroxy-5-norbornene-2,3-dicarboximide / 1.) 18 h; 2.) 18 h

With sodium hydroxide; N-hydroxy-5-norbornene-2,3-dicarboximide; hydrogen; sodium methylate; acetic anhydride; dicyclohexyl-carbodiimide; palladium on activated charcoal;
DOI:10.1039/c39890001678