Barettin

Base Information

Chemical Name:Barettin
CAS No.:104311-70-8
Molecular Formula:C₁₇H₁₉BrN₆O₂
Molecular Weight:419.281
Hs Code.:
UNII:LAM9W2P97T
DSSTox Substance ID:DTXSID101317811
Nikkaji Number:J2.030.900H,J1.996.464G
Wikipedia:Barettin
Wikidata:Q808098
ChEMBL ID:CHEMBL255898

Synonyms:barettin;cyclo((6-bromo-8-entryptophan)arginine)

Suppliers and Price of Barettin

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
Packaging
price

Total 0 raw suppliers

Chemical Property of Barettin

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.74g/cm³
XLogP3:0.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:418.07529
Heavy Atom Count:26
Complexity:618

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1Br)NC=C2C=C3C(=O)NC(C(=O)N3)CCCN=C(N)N
Isomeric SMILES:C1=CC2=C(C=C1Br)NC=C2/C=C\3/C(=O)N[C@H](C(=O)N3)CCCN=C(N)N

Technology Process of Barettin

There total 5 articles about Barettin 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: 86.0%

: methyl (2S)-2-(N-Boc-Nω,Nω'-bis(Boc)-L-arginyl)amino-3-(1-Boc-indol-3-yl)prop-2-enoate

: 104311-70-8
cyclo[(6-bromo-8-entryptophan)-L-arginine]

Guidance literature:: methyl (2S)-2-(N-Boc-Nω,Nω'-bis(Boc)-L-arginyl)amino-3-(1-Boc-indol-3-yl)prop-2-enoate; With trifluoroacetic acid; In dichloromethane; at 20 ℃;

With 4-methyl-morpholine; acetic acid; In butan-1-ol; at 128 ℃; Time;