(2S)-N-[(2S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide

Base Information

Chemical Name:(2S)-N-[(2S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide
CAS No.:141804-42-4
Molecular Formula:C₃₆H₄₅N₅O₇S
Molecular Weight:691.849
Hs Code.:
DSSTox Substance ID:DTXSID60931205
Mol file:141804-42-4.mol

(2S)-N-[(2S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide

Synonyms:Butanediamide, N1-(3-(4-(((1,1-dimethylethyl)amino)carbonyl)-5,5-dimethyl-3-thiazolidinyl)-2-hydroxy-3-oxo-1-(phenylmethyl)propyl)-2-(((1-naphthalenyloxy)acetyl)amino)-, (4R-(3(1S*(S*),2S*),4R*))-;KNI 174;KNI-174;KNI174;N-tert-butyl-3-(2-hydroxy-3-N-(N(2)-(1-naphthyloxyacetyl)asparaginyl)amino-4-phenylbutanoyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Suppliers and Price of (2S)-N-[(2S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide

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 174 95.00%
5MG
$ 498.08

Total 1 raw suppliers

Chemical Property of (2S)-N-[(2S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:1075°C at 760 mmHg
Flash Point:603.9°C
Density:1.269g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:691.30396997
Heavy Atom Count:49
Complexity:1190

Purity/Quality:: KNI 174 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(C(N(CS1)C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(C)(C)C)C
Isomeric SMILES:CC1([C@H](N(CS1)C(=O)C([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)COC3=CC=CC4=CC=CC=C43)O)C(=O)NC(C)(C)C)C

Technology Process of (2S)-N-[(2S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide

There total 7 articles about (2S)-N-[(2S)-4-[(4R)-4-(tert-butylcarbamoyl)-5,5-dimethyl-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[(2-naphthalen-1-yloxyacetyl)amino]butanediamide 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:

: 158941-58-3
(R)-N-tert-butyl-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

: 141804-42-4
(R)-N-tert-butyl-3-[(2S,3S)-3-[(S)-2-(1-naphthoxyacetyl)aminosuccinamyl]amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Guidance literature:: Multi-step reaction with 5 steps

1: 1-hydroxybenzotriazol; N,N'-dicyclohexylcarbodiimide / ethyl acetate

2: HCl / dioxane; CH₂Cl₂ / 2 h

3: 71 percent / 1-hydroxybenzotriazol; TEA / dimethylformamide

4: HCl / dioxane; CH₂Cl₂ / 2 h

5: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl; TEA / dimethylformamide

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

Reference yield:

: 117918-23-7
(R)-3-tert-butoxycarbonyl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

: 141804-42-4
(R)-N-tert-butyl-3-[(2S,3S)-3-[(S)-2-(1-naphthoxyacetyl)aminosuccinamyl]amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Guidance literature:: Multi-step reaction with 7 steps

1.1: TEA; diphenylphosphoryl chloride / ethyl acetate / 1 h

1.2: ethyl acetate

2.1: HCl / dioxane; CH₂Cl₂ / 2 h

3.1: 1-hydroxybenzotriazol; N,N'-dicyclohexylcarbodiimide / ethyl acetate

4.1: HCl / dioxane; CH₂Cl₂ / 2 h

5.1: 71 percent / 1-hydroxybenzotriazol; TEA / dimethylformamide

6.1: HCl / dioxane; CH₂Cl₂ / 2 h

7.1: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl; TEA / dimethylformamide

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

Reference yield:

: 148983-13-5
(R)-4-tert-Butylcarbamoyl-5,5-dimethyl-thiazolidine-3-carboxylic acid tert-butyl ester

: 141804-42-4
(R)-N-tert-butyl-3-[(2S,3S)-3-[(S)-2-(1-naphthoxyacetyl)aminosuccinamyl]amino-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Guidance literature:: Multi-step reaction with 6 steps

1: HCl / dioxane; CH₂Cl₂ / 2 h

2: 1-hydroxybenzotriazol; N,N'-dicyclohexylcarbodiimide / ethyl acetate

3: HCl / dioxane; CH₂Cl₂ / 2 h

4: 71 percent / 1-hydroxybenzotriazol; TEA / dimethylformamide

5: HCl / dioxane; CH₂Cl₂ / 2 h

6: 1-hydroxybenzotriazol; N-ethyl-N'-[3-(dimethylamino)propyl]carbodiimide*HCl; TEA / dimethylformamide

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