(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

Base Information

Chemical Name:(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
CAS No.:72795-19-8
Deprecated CAS:72795-17-6
Molecular Formula:C₁₇H₂₇NO₂
Molecular Weight:277.407
Hs Code.:
DSSTox Substance ID:DTXSID401118341
Nikkaji Number:J257.585J
Wikipedia:ICI-118,551
Pharos Ligand ID:332QGUW1AQPF
Metabolomics Workbench ID:66345
ChEMBL ID:CHEMBL198059
Mol file:72795-19-8.mol

Synonyms:erythro-DL-1-(7-methylindan-4-yloxy)-3-isopropylaminobutan-2-ol;ICI 111,581;ICI 111581;ICI 118,551;ICI 118551;ICI 118551, hydrochloride;ICI-111581;ICI-118551

Suppliers and Price of (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

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

Tocris
ICI 118,551 hydrochloride ≥98%(HPLC)
10
$ 198.00

Sigma-Aldrich
ICI 118,551 hydrochloride ≥98% (HPLC), powder
25mg
$ 782.00

Sigma-Aldrich
ICI 118551 Hydrochloride - CAS 72795-19-8 - Calbiochem
10 mg
$ 222.00

Sigma-Aldrich
ICI 118,551 hydrochloride ≥98% (HPLC), powder
5mg
$ 220.00

Sigma-Aldrich
ICI 118551 Hydrochloride - CAS 72795-19-8 - Calbiochem
5052750001
$ 214.00

American Custom Chemicals Corporation
ICI 118,551 HYDROCHLORIDE 95.00%
50MG
$ 1199.42

American Custom Chemicals Corporation
ICI 118,551 HYDROCHLORIDE 95.00%
10MG
$ 702.19

American Custom Chemicals Corporation
ICI-118551 95.00%
10MG
$ 575.00

American Custom Chemicals Corporation
ICI-118551 95.00%
5MG
$ 540.00

Total 8 raw suppliers

Chemical Property of (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

Chemical Property:

Vapor Pressure:1.71E-08mmHg at 25°C
Boiling Point:439.3°C at 760 mmHg
Flash Point:219.5°C
PSA：41.49000
LogP:3.80280
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:ethanol: 7.3 mg/mL
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:277.204179104
Heavy Atom Count:20
Complexity:295

Purity/Quality:

99% ^*data from raw suppliers

ICI 118,551 hydrochloride ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O
Isomeric SMILES:CC1=C2CCCC2=C(C=C1)OC[C@@H]([C@H](C)NC(C)C)O
Recent EU Clinical Trials:NeoAdjuvant Dynamic marker - Adjusted Personalized Therapy comparing trastuzumab-deruxtecan versus pacli-/docetaxel+carboplatin+trastuzumab+pertuzumab in HER2+ early breast cancer

Technology Process of (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol

There total 2 articles about (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol 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:

: 4-[((E)-But-2-enyl)oxy]-7-methyl-indan

: 72795-17-6,72795-19-8,72795-20-1,72795-23-4,72795-26-7,91021-57-7,149021-76-1,149115-13-9,149115-14-0
ICI 118551

Guidance literature:: Multi-step reaction with 2 steps

1: 1) NBS, 2) DBU / 1) DME, H₂O, 24 h, 2) DME, 6 h

2: methanol

With N-Bromosuccinimide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In methanol;
DOI:10.1071/C98145