Batcp

Base Information

• Chemical Name: Batcp
• CAS No.: 787549-23-9
• Molecular Formula: C₂₃H₂₈F₃N₃O₆
• Molecular Weight: 499.487
• ChEMBL ID: CHEMBL363036
• DSSTox Substance ID: DTXSID50460034
• Wikidata: Q82283946
• Mol file: 787549-23-9.mol

Synonyms:BATCP;787549-23-9;Cpd 3b;tert-butyl N-[(2S)-6-acetamido-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]hexan-2-yl]carbamate;(S)-[5-Acetylamino-1-(2-oxo-4-trifluoromethyl-2H-chromen-7-ylcarbamoyl)pentyl]carbamic acid tert-butyl ester;tert-Butyl (S)-(6-acetamido-1-oxo-1-((2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl)amino)hexan-2-yl)carbamate;ba-tcp;CHEMBL363036;SCHEMBL3504063;DTXSID50460034;NVKNRJCOVHAZDK-KRWDZBQOSA-N;MFCD08705320;BATCP, >=98% (HPLC), solid;AKOS025295760;NCGC00165750-01;HY-136859;CS-0134149;BATCP,(S)-[5-Acetylamino-1-(2-oxo-4-trifluoromethyl-2H-chromen-7-ylcarbamoyl)pentyl]carbamic acid tert-butyl ester, Cpd 3b

Chemical Property of Batcp

Chemical Property:

• Vapor Pressure: 4.37E-19mmHg at 25°C
• Refractive Index: 1.534
• Boiling Point: 693.6°C at 760 mmHg
• Flash Point: 373.3°C
• Density: 1.309g/cm³
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble16mg/mL
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 499.19302011
• Heavy Atom Count: 35
• Complexity: 837

Purity/Quality:

97% ^*data from raw suppliers

BATCP ≥98% (HPLC), solid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCCCC(C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC(=O)NCCCC[C@@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F)NC(=O)OC(C)(C)C

Technology Process of Batcp

There total 1 articles about Batcp 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: 54.0%

(S)-6-acetamido-2-((tertbutoxycarbonyl)amino)hexanoic acid (6404-26-8) + Coumarin 151 (53518-15-3) → (S)-[5-acetylamino-1-(2-oxo-4-trifluoromethyl-2H-chromen-7-ylcarbamoyl)pentyl]carbamic acid tert-butyl ester (787549-23-9)

Guidance literature:

With pyridine; trichlorophosphate; at -15 ℃; for 1h;

DOI:10.1021/jm0497592

upstream raw materials:

(S)-6-acetamido-2-((tertbutoxycarbonyl)amino)hexanoic acid

Coumarin 151