(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic acid

Base Information

Chemical Name:(2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic acid
CAS No.:28635-99-6
Molecular Formula:C₁₄H₂₆N₂O₅
Molecular Weight:302.371
Hs Code.:
DSSTox Substance ID:DTXSID20426061
Wikidata:Q82239046
Mol file:28635-99-6.mol

Synonyms:CMLDBU00000296;28635-99-6;SCHEMBL9336693;DTXSID20426061;XW12261;EN300-23701024;(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido]propanoic acid

Suppliers and Price of (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic acid

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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Total 1 raw suppliers

Chemical Property of (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic acid

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:302.18417193
Heavy Atom Count:21
Complexity:387

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)OC(C)(C)C
Isomeric SMILES:C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

Technology Process of (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic acid

There total 1 articles about (2S)-2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]propanoic 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:

: 114275-21-7
(S)-2-((S)-2-tert-Butoxycarbonylamino-4-methyl-pentanoylamino)-propionic acid (E)-3-benzylcarbamoyl-allyl ester

: 28635-99-6
(2S)-((2'S)-tert-butoxycarbonylamino-4-methylpentanoylamino)propionic acid

: 114275-23-9
(E)-4-Morpholin-4-yl-but-2-enoic acid benzylamide

Guidance literature:: With morpholine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; for 0.5h; Yield given. Yields of byproduct given;

Reference yield: 42.0%

: 28635-99-6
(2S)-((2'S)-tert-butoxycarbonylamino-4-methylpentanoylamino)propionic acid

: 669074-36-6
(2R,4S,5S)-5-Amino-4-hydroxy-2-methyl-6-phenyl-hexanoic acid {(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propyl}-amide

: {(S)-1-[(S)-1-((1S,2S,4R)-1-Benzyl-2-hydroxy-4-{(S)-2-methyl-1-[(pyridin-4-ylmethyl)-carbamoyl]-propylcarbamoyl}-pentylcarbamoyl)-ethylcarbamoyl]-3-methyl-butyl}-carbamic acid tert-butyl ester

Guidance literature:: With 1-hydroxy-7-aza-benzotriazole; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran;
DOI:10.1016/j.bmcl.2003.09.084

Reference yield:

: 28635-99-6
(2S)-((2'S)-tert-butoxycarbonylamino-4-methylpentanoylamino)propionic acid

: (S)-2-Amino-4-methyl-pentanoic acid ((S)-1-{(S)-1-[2-amino-5-(3,4,5-trimethoxy-benzyl)-pyrimidin-4-ylcarbamoyl]-3-methyl-butylcarbamoyl}-ethyl)-amide

Guidance literature:: Multi-step reaction with 3 steps

1: 84 percent / DCC / dioxane / Ambient temperature

2: 45 percent / K₂CO₃ / dioxane; H₂O

3: 50 percent / TFA / 0.5 h / Ambient temperature

With potassium carbonate; dicyclohexyl-carbodiimide; trifluoroacetic acid; In 1,4-dioxane; water;
DOI:10.1002/jps.2600760210