CI-906 (free acid)

Base Information

Chemical Name:CI-906 (free acid)
CAS No.:82768-84-1
Molecular Formula:C₂₅H₃₀N₂O₅
Molecular Weight:438.524
Hs Code.:
DSSTox Substance ID:DTXSID40861051
ChEMBL ID:CHEMBL23389

Synonyms:82768-84-1;CI-906 (free acid);2-[n-(1-ethoxy-1-oxo-4-phenylbutan-2-yl)alanyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;CHEMBL23389;SCHEMBL678447;DTXSID40861051;NCGC00389414-01;FT-0630933;EN300-296321;2-{2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;3-Isoquinolinecarboxylic acid, 2-(2-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-1-oxopropyl)-1,2,3,4-tetrahydro-

Suppliers and Price of CI-906 (free 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
Packaging
price

Total 4 raw suppliers

Chemical Property of CI-906 (free acid)

Chemical Property:

Vapor Pressure:2E-18mmHg at 25°C
Boiling Point:662°Cat760mmHg
Flash Point:354.1°C
Density:1.217g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:438.21547206
Heavy Atom Count:32
Complexity:648

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Technology Process of CI-906 (free acid)

There total 14 articles about CI-906 (free 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: 83.9%

: 74163-81-8
L-Tic-OH

: 877932-98-4,122076-80-6
N-(1-ethoxycarbonyl-3-phenylpropyl)-L-alanine

: 129178-93-4
L-alanine acid chloride

: 85441-61-8,82768-84-1
quinapril

Guidance literature:: With benzenesulfonamide; phosphorus pentachloride; triethylamine; In n-heptane; dichloromethane; water;

Reference yield:

: 82586-54-7
quinapril benzyl ester

: 85441-61-8,82768-84-1
quinapril

Guidance literature:: With hydrogen; palladium on activated charcoal;
DOI:10.1081/SCC-200048435

Reference yield:

: C₃₃H₃₈N₂O₅

: 85441-61-8,82768-84-1
quinapril

Guidance literature:: With hydrogenchloride; hydrogen; 5%-palladium/activated carbon; In ethanol; water; at 35 - 40 ℃; for 5h; under 367.786 Torr; Product distribution / selectivity;