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[(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate

Base Information Edit
  • Chemical Name:[(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate
  • CAS No.:141205-31-4
  • Molecular Formula:C39H65N5O9
  • Molecular Weight:747.973
  • Hs Code.:
  • DSSTox Substance ID:DTXSID50161599
  • Wikidata:Q83030029
  • Mol file:141205-31-4.mol
[(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate

Synonyms:microcolin A

Suppliers and Price of [(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate
Supply Marketing:Edit
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
  • MICROCOLIN A 95.00%
  • 5MG
  • $ 498.97
Total 0 raw suppliers
Chemical Property of [(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate Edit
Chemical Property:
  • Vapor Pressure:1.1E-34mmHg at 25°C 
  • Boiling Point:862.5°Cat760mmHg 
  • Flash Point:475.4°C 
  • PSA:177.43000 
  • Density:1.147g/cm3 
  • LogP:3.62280 
  • XLogP3:5.1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:10
  • Rotatable Bond Count:19
  • Exact Mass:747.47822867
  • Heavy Atom Count:53
  • Complexity:1370
Purity/Quality:

MICROCOLIN A 95.00% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CCCCC(C)CC(C)C(=O)N(C)C(CC(C)C)C(=O)NC(=O)C(C(C)OC(=O)C)N(C)C(C(C)C)C(=O)N1CC(CC1C(=O)N2C(C=CC2=O)C)O
  • Isomeric SMILES:CCCC[C@@H](C)C[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)NC(=O)[C@H]([C@@H](C)OC(=O)C)N(C)[C@@H](C(C)C)C(=O)N1C[C@H](C[C@H]1C(=O)N2[C@H](C=CC2=O)C)O
Technology Process of [(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate

There total 23 articles about [(2R,3S)-4-[[(2S)-2-[[(2R,4R)-2,4-dimethyloctanoyl]-methylamino]-4-methylpentanoyl]amino]-3-[[(2S)-1-[(2S,4S)-4-hydroxy-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylamino]-4-oxobutan-2-yl] acetate 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:
Guidance literature:
Multi-step reaction with 5 steps
1: 47 percent / BOP-Cl, Et3N / CH2Cl2 / 25 °C
2: 85 percent / H2 / Pd/C / methanol / 2 h
3: 50 percent / BOP-Cl, Et3N / CH2Cl2 / 25 °C
4: 98 percent / 4N HCl / dioxane / 4 h / 0 °C
5: 56 percent / BOP-Cl, Et3N / CH2Cl2 / 25 °C
With hydrogenchloride; hydrogen; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; triethylamine; palladium on activated charcoal; In 1,4-dioxane; methanol; dichloromethane;
DOI:10.1021/jo952123l
Guidance literature:
Multi-step reaction with 12 steps
1: BOP-Cl, Et3N / CH2Cl2 / 80 h / 25 °C
2: 97 percent / 2,6-lutidine / CH2Cl2 / 0 deg C, 15 min; 25 deg C, 15 min
3: 90 percent / H2 / Pd/C / methanol / 2 h
4: 98 percent / DMAP, isopropenyl chloroformate / CH2Cl2 / 2 h / -5 °C
5: 97 percent / acetonitrile / 2.5 h / Heating
6: 73 percent / NaBH4 / acetic acid; CH2Cl2 / 4.5 h / 0 °C
7: Et3N / CH2Cl2 / 1 h / 25 °C
8: 1,8-diazabicyclo<5.4.0>undec-7-ene, Et3N / CH2Cl2 / 0.33 h
9: 97 percent / 4N HCl / dioxane / 2 h / 0 °C
10: 50 percent / BOP-Cl, Et3N / CH2Cl2 / 25 °C
11: 98 percent / 4N HCl / dioxane / 4 h / 0 °C
12: 56 percent / BOP-Cl, Et3N / CH2Cl2 / 25 °C
With 2,6-dimethylpyridine; hydrogenchloride; dmap; sodium tetrahydroborate; Isopropenyl chloroformate; hydrogen; bis-(2-oxo-3-oxazolidinyl)phosphoryl chloride; 1,8-diazabicyclo[5.4.0]undec-7-ene; triethylamine; palladium on activated charcoal; In 1,4-dioxane; methanol; dichloromethane; acetic acid; acetonitrile;
DOI:10.1021/jo952123l
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