(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

Base Information

Chemical Name:(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol
CAS No.:89159-60-4
Molecular Formula:C16H14N2O3
Molecular Weight:282.29400
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90353779
Wikidata:Q82131562
Pharos Ligand ID:66YDZKV4NG4N
ChEMBL ID:CHEMBL1609104
Mol file:89159-60-4.mol

Synonyms:ML354 compound;VU0099704

Suppliers and Price of (1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

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

Usbiological
ML-354
1mg
$ 312.00

Usbiological
ML 354
10mg
$ 389.00

TRC
ML-354
10mg
$ 115.00

TRC
ML-354
100mg
$ 755.00

Tocris
ML354 ≥98%(HPLC)
50
$ 622.00

Tocris
ML354 ≥98%(HPLC)
10
$ 149.00

Sigma-Aldrich
ML354 ≥98% (HPLC)
5mg
$ 83.70

Sigma-Aldrich
ML354 ≥98% (HPLC)
25mg
$ 338.00

Crysdot
(1-Methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol 95+%
5g
$ 574.00

Chemenu
(1-Methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol 95%
5g
$ 542.00

Total 9 raw suppliers

Chemical Property of (1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

Chemical Property:

Vapor Pressure:1.14E-12mmHg at 25°C
Boiling Point:544oC at 760 mmHg
Flash Point:282.8oC
PSA：70.98000
Density:1.29g/cm3
LogP:3.76900
Storage Temp.:-20°C
Solubility.:≤2mg/ml in ethanol;20mg/ml in DMSO;20mg/ml in dimethyl formamide
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:282.10044231
Heavy Atom Count:21
Complexity:378

Purity/Quality:

98%,99%, ^*data from raw suppliers

ML-354 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CO)C3=CC=CC=C3
Description ML-354 is an indole-based, proteinase-activated receptor 4 (PAR4) antagonist (IC50 = 140 nM) that exhibits 71-fold selectivity for PAR4 over PAR1 (IC50 = 10 μM) in isolated human platelets.
Uses ML-354 is a selective protease activated receptor 4 ( PAR-4) antagonist used for its antithrombotic effects.

Technology Process of (1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

There total 4 articles about (1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol 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: 73.0%

: 89173-89-7
1-methyl-2-bromomethyl-3-phenyl-5-nitroindole

: 89159-60-4
(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

Guidance literature:: With water; In 1,4-dioxane; for 4h; Heating;
DOI:10.1007/BF00842836

Reference yield:

: 41018-87-5
2-methyl-3-phenyl-5-nitroindole

: 89159-60-4
(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

Guidance literature:: Multi-step reaction with 3 steps

1: 82 percent / 50percent aq. KOH / acetone / 1 h / 20 °C

2: 95.1 percent / Br₂ / 1,2-dichloro-ethane / 1 h / 20 °C / Irradiation

3: 73 percent / dioxane; H₂O / 4 h / Heating

With potassium hydroxide; bromine; In 1,4-dioxane; water; 1,2-dichloro-ethane; acetone;
DOI:10.1007/BF00764177

Reference yield:

: 68285-93-8
1,2-dimethyl-3-phenyl-5-nitroindole

: 89159-60-4
(1-methyl-5-nitro-3-phenyl-1H-indol-2-yl)methanol

Guidance literature:: Multi-step reaction with 2 steps

1: 95.1 percent / Br₂ / 1,2-dichloro-ethane / 1 h / 20 °C / Irradiation

2: 73 percent / dioxane; H₂O / 4 h / Heating

With bromine; In 1,4-dioxane; water; 1,2-dichloro-ethane;
DOI:10.1007/BF00764177