Urea, N-((1R)-5-(1,1-dimethylethyl)-2,3-dihydro-1H-inden-1-yl)-N'-1H-indazol-4-yl-

Base Information

Chemical Name:Urea, N-((1R)-5-(1,1-dimethylethyl)-2,3-dihydro-1H-inden-1-yl)-N'-1H-indazol-4-yl-
CAS No.:808756-71-0
Deprecated CAS:1083090-71-4
Molecular Formula:C21H24N4O
Molecular Weight:348.448
Hs Code.:
UNII:J0YBN3USJN
ChEMBL ID:CHEMBL398338
DSSTox Substance ID:DTXSID801001609
Pharos Ligand ID:1QBRAAL5H2A7
Wikidata:Q72503428
Mol file:808756-71-0.mol

Synonyms:ABT 102;ABT-102;ABT102

Suppliers and Price of Urea, N-((1R)-5-(1,1-dimethylethyl)-2,3-dihydro-1H-inden-1-yl)-N'-1H-indazol-4-yl-

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
ABT-102 95.00%
5MG
$ 502.04

Total 13 raw suppliers

Chemical Property of Urea, N-((1R)-5-(1,1-dimethylethyl)-2,3-dihydro-1H-inden-1-yl)-N'-1H-indazol-4-yl-

Chemical Property:

Vapor Pressure:2.68E-11mmHg at 25°C
Refractive Index:1.656
Boiling Point:529.5 °C at 760 mmHg
Flash Point:274.1 °C
PSA：69.81000
Density:1.24 g/cm³
LogP:5.13330
XLogP3:4.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:348.19501140
Heavy Atom Count:26
Complexity:517

Purity/Quality:

99% ^*data from raw suppliers

ABT-102 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC2=C(C=C1)C(CC2)NC(=O)NC3=CC=CC4=C3C=NN4
Isomeric SMILES:CC(C)(C)C1=CC2=C(C=C1)[C@@H](CC2)NC(=O)NC3=CC=CC4=C3C=NN4
Recent ClinicalTrials:A Safety, Tolerability and Pharmacokinetic Study of ABT-102 in Healthy Subjects

Technology Process of Urea, N-((1R)-5-(1,1-dimethylethyl)-2,3-dihydro-1H-inden-1-yl)-N'-1H-indazol-4-yl-

There total 8 articles about Urea, N-((1R)-5-(1,1-dimethylethyl)-2,3-dihydro-1H-inden-1-yl)-N'-1H-indazol-4-yl- 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:

: 952734-48-4
(R)-1-(2-benzyl-2H-indazol-4-yl)-3-(5-tert-butyl-2,3-dihydro-1H-indan-1-yl)urea

: 808756-71-0
N-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-ylurea

Guidance literature:: With formic acid; palladium(II) hydroxide/carbon; In tetrahydrofuran; water; at 60 ℃; for 3h;

Reference yield:

: 808756-69-6
methyl 4-[({[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]amino}carbonyl)amino]-1H-indazole-1-carboxylate

: 808756-71-0
N-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-ylurea

Guidance literature:: With sodium hydroxide; In methanol; at 20 ℃; for 0.5h;
DOI:10.1021/jm701007g

Reference yield:

: 253185-03-4,253185-04-5
tert-butylbenzene

: 808756-71-0
N-[(1R)-5-tert-butyl-2,3-dihydro-1H-inden-1-yl]-N'-1H-indazol-4-ylurea

Guidance literature:: Multi-step reaction with 5 steps

1.1: aluminum (III) chloride / dichloromethane / 0 - 5 °C / Inert atmosphere

1.2: Friedel-Crafts Acylation / 1.5 h / 0 - 5 °C / Inert atmosphere

2.1: ammonia

3.1: water; methanol / 1 h / 65 °C / Large scale

4.1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 1 h / 20 °C

5.1: sodium hydroxide / methanol / 20 °C

With aluminum (III) chloride; ammonia; N-ethyl-N,N-diisopropylamine; sodium hydroxide; In methanol; dichloromethane; water; N,N-dimethyl-formamide; 1.1: |Friedel-Crafts Acylation;
DOI:10.1021/op060228s