Butanediamide, N1-((1S)-2,2-dimethyl-1-((methylamino)carbonyl)propyl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)-, (2S,3R)-

Base Information

Chemical Name:Butanediamide, N1-((1S)-2,2-dimethyl-1-((methylamino)carbonyl)propyl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)-, (2S,3R)-
CAS No.:205807-59-6
Molecular Formula:C₁₉H₂₉N₃O₆
Molecular Weight:395.456
Hs Code.:
UNII:Q4Y6E79VUH
DSSTox Substance ID:DTXSID50432413
Wikidata:Q82246476
Pharos Ligand ID:8H14WVJH5GJZ
ChEMBL ID:CHEMBL72511

Synonyms:PKF-242-484;205807-59-6;Q4Y6E79VUH;CHEMBL72511;TNF-484;Butanediamide, N1-((1S)-2,2-dimethyl-1-((methylamino)carbonyl)propyl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)-, (2S,3R)-;(2S,3R)-N1-((1S)-2,2-Dimethyl-1-((methylamino)carbonyl)propyl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)butanediamide;Butanediamide, N1-((1S)-2,2-dimethyl-1-((methylamino)carbonyl)propyl)-N4-hydroxy-3-(hydroxymethyl)-4-(4-methoxyphenyl)-, (2S,3R)-;Butanediamide, N4-(2,2-dimethyl-1-((methylamino)carbonyl)propyl)-N1-hydroxy-2-(hydroxymethyl)-3-(4-methoxyphenyl)-, (2R-(2R*,3S*,4(S*)))-;UNII-Q4Y6E79VUH;DTXSID50432413;BDBM50183784;(2S,3R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)butanediamide;(2S,3R)-N1-((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)succinamide;(2S,3R)-N4-((S)-2,2-dimethyl-1-methylcarbamoyl-propyl)-N1-hydroxy-2-hydroxymethyl-3-(4-methoxy-phenyl)-succinamide;N*4*-(2,2-Dimethyl-1-methylcarbamoyl-propyl)-N*1*-hydroxy-2-hydroxymethyl-3-(4-methoxy-phenyl)-succinamide

Suppliers and Price of Butanediamide, N1-((1S)-2,2-dimethyl-1-((methylamino)carbonyl)propyl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)-, (2S,3R)-

Supply Marketing:

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

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Chemical Property of Butanediamide, N1-((1S)-2,2-dimethyl-1-((methylamino)carbonyl)propyl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)-, (2S,3R)-

Chemical Property:

XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:395.20563565
Heavy Atom Count:28
Complexity:540

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C(C(=O)NC)NC(=O)C(C1=CC=C(C=C1)OC)C(CO)C(=O)NO
Isomeric SMILES:CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@H](C1=CC=C(C=C1)OC)[C@H](CO)C(=O)NO

Technology Process of Butanediamide, N1-((1S)-2,2-dimethyl-1-((methylamino)carbonyl)propyl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)-, (2S,3R)-

There total 11 articles about Butanediamide, N1-((1S)-2,2-dimethyl-1-((methylamino)carbonyl)propyl)-N4-hydroxy-3-(hydroxymethyl)-2-(4-methoxyphenyl)-, (2S,3R)- 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: 74.0%

: (2R,3S)-2-(benzyloxymethyl)-N₄-[(S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N₁-hydroxy-3-(4-methoxyphenyl)succinamide

: 205807-59-6
TNF₄₈₄

Guidance literature:: With 5%-palladium/activated carbon; hydrogen; In methanol; at 22 ℃; for 1.25h; under 825.083 Torr;
DOI:10.1021/op025536e

Reference yield: 63.0%

: 439112-52-4
N¹-benzyloxy-2(R)-benzyloxymethyl-N⁴-(2,2-dimethyl-1(S)-methylcarbamoylpropyl)-3(S)-(4-methoxyphenyl)succinamide

: 205807-59-6
TNF₄₈₄

Guidance literature:: With hydrogen; Pd-BaSO₄; In methanol; for 6h; atmospheric pressure;
DOI:10.1021/jm0110993

Reference yield:

: (2S,3R)-4-Benzyloxy-N-((S)-2,2-dimethyl-1-methylcarbamoyl-propyl)-3-formyl-2-(4-methoxy-phenyl)-butyramide

: 205807-59-6
TNF₄₈₄

Guidance literature:: Multi-step reaction with 3 steps

1: 46 percent / aq. NaClO₂; 2-methyl-2-butene; NaH₂PO₄ / 2-methyl-propan-2-ol / 18 h / 20 °C

2: 66 percent / HOBT; EDCI; triethylamine / dimethylformamide / 18 h / 20 °C

3: 63 percent / H₂ / Pd/BaSO₄ / methanol / 6 h / atmospheric pressure

With sodium chlorite; sodium dihydrogenphosphate; 2-methyl-but-2-ene; hydrogen; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; Pd-BaSO₄; In methanol; N,N-dimethyl-formamide; tert-butyl alcohol;
DOI:10.1021/jm0110993