Desmethylastemizole

Base Information

Chemical Name:Desmethylastemizole
CAS No.:73736-50-2
Molecular Formula:C27H29 F N4 O
Molecular Weight:444.552
Hs Code.:
UNII:L460QHM1YN
DSSTox Substance ID:DTXSID10224058
Nikkaji Number:J390.529B
Wikidata:Q27282678
Pharos Ligand ID:VFNUL519G54G
ChEMBL ID:CHEMBL60796
Mol file:73736-50-2.mol

Synonyms:demethylastemizole;desmethylastemizole;R 44 271;R-44-271

Suppliers and Price of Desmethylastemizole

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

TRC
O-DesmethylAstemizole
1mg
$ 175.00

Medical Isotopes, Inc.
O-DesmethylAstemizole
1 mg
$ 890.00

American Custom Chemicals Corporation
DESMETHYLASTEMIZOLE 95.00%
10MG
$ 1871.10

American Custom Chemicals Corporation
DESMETHYLASTEMIZOLE 95.00%
1MG
$ 739.20

Total 6 raw suppliers

Chemical Property of Desmethylastemizole

Chemical Property:

Vapor Pressure:3.4E-17mmHg at 25°C
Melting Point:92-94°C
Boiling Point:644.2°C at 760 mmHg
PKA:10.13±0.15(Predicted)
Flash Point:343.4°C
PSA：53.32000
Density:1.25g/cm³
LogP:5.05920
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly, Heated), Methanol (Slightly)
XLogP3:5.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:444.23253972
Heavy Atom Count:33
Complexity:585

Purity/Quality:

> 95% ^*data from raw suppliers

O-DesmethylAstemizole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)CCC5=CC=C(C=C5)O
Uses A metabolite of Astemizole. A metabolite of Astemizole

Technology Process of Desmethylastemizole

There total 25 articles about Desmethylastemizole 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: 93.0%

: 68844-77-9
astemizole

: 73736-50-2
O-desmethyl astemizole

Guidance literature:: With hydrogen bromide; for 20h; Heating;
DOI:10.1021/jm00150a029

Reference yield: 88.5%

: 73735-55-4
1-<(4-fluorophenyl)methyl>-N-<1-<2-<4-(phenylmethoxy)phenyl>ethyl>-4-piperidinyl>-1H-benzimidazol-2-amine

: 73736-50-2
O-desmethyl astemizole

Guidance literature:: With hydrogen; palladium on activated charcoal; In methanol;
DOI:10.1021/jm00150a029

Reference yield:

: 84501-68-8
ethyl 4-[[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]amino]-1-piperidinecarboxylate

: 73736-50-2
O-desmethyl astemizole

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / 48 percent hydrobromic acid / 1 h / Heating

2: 46.7 percent / Na₂CO₃ / dimethylformamide / 20 h / 70 °C

3: 88.5 percent / H₂ / 10 percent Pd/C / methanol

With hydrogen bromide; hydrogen; sodium carbonate; palladium on activated charcoal; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00150a029