3-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-2-methyl-butyric acid

Base Information

Chemical Name:3-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-2-methyl-butyric acid
CAS No.:120686-10-4
Molecular Formula:C₁₆H₂₂N₂O₅
Molecular Weight:322.361
Hs Code.:
ChEMBL ID:CHEMBL285617
DSSTox Substance ID:DTXSID801132711

Synonyms:CHEMBL285617;DTXSID801132711;3-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-2-methyl-butyric acid;BDBM50018213;120686-10-4;3-[[4-(Hydroxyamino)-1,4-dioxo-2-(phenylmethyl)butyl]amino]-2-methylbutanoic acid

Suppliers and Price of 3-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-2-methyl-butyric acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-2-methyl-butyric acid

Chemical Property:

XLogP3:0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:322.15287181
Heavy Atom Count:23
Complexity:421

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C(C)NC(=O)C(CC1=CC=CC=C1)CC(=O)NO)C(=O)O

Technology Process of 3-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-2-methyl-butyric acid

There total 8 articles about 3-(2-Benzyl-3-hydroxycarbamoyl-propionylamino)-2-methyl-butyric acid 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: 100.0%

: 120686-51-3
3-[(E)-2-(Benzyloxycarbamoyl-methyl)-3-phenyl-acryloylamino]-2-methyl-butyric acid

: 120686-10-4
3-(2-Hydroxycarbamoylmethyl-3-phenyl-propionylamino)-2-methyl-butyric acid

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol; for 5h; Ambient temperature;
DOI:10.1021/jm00127a017

Reference yield:

: 87439-00-7
3-(ethoxycarbonyl)-2-benzylidenepropanoic acid

: 120686-10-4
3-(2-Hydroxycarbamoylmethyl-3-phenyl-propionylamino)-2-methyl-butyric acid

Guidance literature:: Multi-step reaction with 5 steps

1: 68.5 percent / 1-hydroxybenzotriazole, N,N'-dicyclohexylcarbodiimide / tetrahydrofuran; CHCl₃ / 1.) 0 deg C, 1 h, 2.) r.t., overnight

2: 62.2 percent / 1 M NaOH / ethanol; H₂O / 1.) 0 deg C, 1 h, 2.) r.t., 5 h

3: 82.7 percent / triethylamine, 1-hydroxybenzotriazole, N,N'-dicyclohexylcarbodiimide / tetrahydrofuran; CHCl₃ / 1.) 0 deg C, 1 h, 2.) r.t., overnight

4: 61.2 percent / trifluoroacetic acid / CH₂Cl₂ / 1.) 0 deg C, 1 h, 2.) 4 deg C, overnight

5: 100 percent / hydrogen / 10 percent Pd/charcoal / methanol / 5 h / Ambient temperature

With sodium hydroxide; hydrogen; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; chloroform; water;
DOI:10.1021/jm00127a017

Reference yield:

: 120686-20-6
2,3-Dimethyl-β-alanine tert-butyl ester

: 120686-10-4
3-(2-Hydroxycarbamoylmethyl-3-phenyl-propionylamino)-2-methyl-butyric acid

Guidance literature:: Multi-step reaction with 5 steps

1: 68.5 percent / 1-hydroxybenzotriazole, N,N'-dicyclohexylcarbodiimide / tetrahydrofuran; CHCl₃ / 1.) 0 deg C, 1 h, 2.) r.t., overnight

2: 62.2 percent / 1 M NaOH / ethanol; H₂O / 1.) 0 deg C, 1 h, 2.) r.t., 5 h

3: 82.7 percent / triethylamine, 1-hydroxybenzotriazole, N,N'-dicyclohexylcarbodiimide / tetrahydrofuran; CHCl₃ / 1.) 0 deg C, 1 h, 2.) r.t., overnight

4: 61.2 percent / trifluoroacetic acid / CH₂Cl₂ / 1.) 0 deg C, 1 h, 2.) 4 deg C, overnight

5: 100 percent / hydrogen / 10 percent Pd/charcoal / methanol / 5 h / Ambient temperature

With sodium hydroxide; hydrogen; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; dichloromethane; chloroform; water;
DOI:10.1021/jm00127a017