Ronacaleret

Base Information

Chemical Name:Ronacaleret
CAS No.:753449-67-1
Molecular Formula:C25H31F2NO4
Molecular Weight:447.522
Hs Code.:
European Community (EC) Number:815-090-4
UNII:DIH95YP7J3
DSSTox Substance ID:DTXSID60892347
Nikkaji Number:J3.319.177D
Wikidata:Q27276413
NCI Thesaurus Code:C81351
Metabolomics Workbench ID:149428
ChEMBL ID:CHEMBL1198855
Mol file:753449-67-1.mol

Synonyms:ronacaleret

Suppliers and Price of Ronacaleret

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

American Custom Chemicals Corporation
RONACALERET 95.00%
50MG
$ 5115.95

American Custom Chemicals Corporation
RONACALERET 95.00%
5MG
$ 743.25

Total 7 raw suppliers

Chemical Property of Ronacaleret

Chemical Property:

PSA：78.79000
LogP:4.74970
XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:447.22211479
Heavy Atom Count:32
Complexity:591

Purity/Quality:

99% ^*data from raw suppliers

RONACALERET 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(CC1CC2=CC=CC=C2C1)NCC(COC3=C(C(=CC(=C3)CCC(=O)O)F)F)O
Isomeric SMILES:CC(C)(CC1CC2=CC=CC=C2C1)NC[C@H](COC3=C(C(=CC(=C3)CCC(=O)O)F)F)O
Recent ClinicalTrials:A Phase II Study Evaluating SB-751689 in Post-Menopausal Women With Osteoporosis.
Recent EU Clinical Trials:A proof-of-concept study of SB-751689 in men and post-menopausal women with a fractured distal radius.

Technology Process of Ronacaleret

There total 6 articles about Ronacaleret 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:

: (E)-3-{3,4-difluoro-5-[(R)-2-hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-phenyl}-acrylic acid hydrochloride

: 753449-67-1
Ronacaleret

Guidance literature:: With 5 % Pd/CaCO3; hydrogen; In acetic acid; ethyl acetate; for 15h;

Reference yield:

: 702687-43-2
(R)-1-(5-bromo-2,3-difluoro-phenoxy)-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propan-2-ol

: 753449-67-1
Ronacaleret

Guidance literature:: Multi-step reaction with 4 steps

1: palladium diacetate; tris-(o-tolyl)phosphine; N-ethyl-N,N-diisopropylamine / 3.5 h / 115 °C / Inert atmosphere

2: sodium hydroxide / ethanol; water / 12 h / 20 °C

3: hydrogenchloride / diethyl ether; acetonitrile

4: 5 % Pd/CaCO3; hydrogen / acetic acid; ethyl acetate / 15 h

With hydrogenchloride; 5 % Pd/CaCO3; hydrogen; palladium diacetate; N-ethyl-N,N-diisopropylamine; tris-(o-tolyl)phosphine; sodium hydroxide; In diethyl ether; ethanol; water; acetic acid; ethyl acetate; acetonitrile; 1: |Heck Reaction;

Reference yield:

: (R,E)-ethyl 3-(3-(3-((1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl)amino)-2-hydroxypropoxy)-4,5-difluorophenyl)acrylate hydrochloride

: 753449-67-1
Ronacaleret

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydroxide / ethanol; water / 12 h / 20 °C

2: hydrogenchloride / diethyl ether; acetonitrile

3: 5 % Pd/CaCO3; hydrogen / acetic acid; ethyl acetate / 15 h

With hydrogenchloride; 5 % Pd/CaCO3; hydrogen; sodium hydroxide; In diethyl ether; ethanol; water; acetic acid; ethyl acetate; acetonitrile;