3-(1-methylpiperidin-4-yl)-1H-indol-5-ol

Base Information

• Chemical Name: 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol
• CAS No.: 57477-39-1
• Molecular Formula: C14H18N2O
• Molecular Weight: 230.30600
• Hs Code.: 2933990090
• UNII: Q2DH1CHI0Y
• DSSTox Substance ID: DTXSID40206089
• Nikkaji Number: J1.507.526K
• Wikipedia: BRL-54443
• Wikidata: Q4836379
• Pharos Ligand ID: 39N5TY2XZB5G
• ChEMBL ID: CHEMBL1371156
• Mol file: 57477-39-1.mol

Synonyms:57477-39-1;BRL 54443;3-(1-methylpiperidin-4-yl)-1H-indol-5-ol;BRL-54443;BRL54443;5-Hydroxy-3-(1-methylpiperidin-4-yl)-1H-indole;1H-Indol-5-ol, 3-(1-methyl-4-piperidinyl)-;3-(1-METHYL-4-PIPERIDINYL)-1H-INDOL-5-OL;C14H18N2O;UNII-Q2DH1CHI0Y;Q2DH1CHI0Y;NCGC00015134-01;Tocris-1129;Lopac-B-173;Biomol-NT_000107;D0Q5SL;Lopac0_000207;5-Hydroxy-3-(1-methylpiperidine-4-yl)-1H-indole;BPBio1_001401;GTPL3927;SCHEMBL3546728;CHEMBL1371156;CHEBI:92321;DTXSID40206089;BCPP000316;HMS3267M18;HMS3412K13;HMS3651N17;HMS3676K13;HMS3742M07;HMS3884P18;BCP02618;EX-A2195;HB1664;MFCD01861184;s2852;AKOS022488633;BCP9000451;CCG-204302;CS-2025;GS-6123;SB19516;SDCCGSBI-0050195.P002;NCGC00015134-02;NCGC00015134-03;NCGC00015134-04;NCGC00015134-05;NCGC00015134-13;NCGC00025019-01;NCGC00025019-02;NCGC00025019-03;AC-32702;BM166950;HY-13221;SW220242-1;5-Hydroxy-3-(1-Methylpiperidin-4-yl)indole;3-(1-Methylpiperidin-4-yl)-5-hydroxy-1H-indole;A869673;L000146;5-Hydroxy-3-(1-methylpiperidin-4-yl )-1H-indole;Q4836379;SR-01000075573-3;BRD-K17868609-001-02-7;HVU

Chemical Property of 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol

Chemical Property:

• Boiling Point: 431.5±45.0 °C(Predicted)
• PKA: 10.08±0.40(Predicted)
• PSA: 39.26000
• Density: 1.196
• LogP: 2.62060
• Storage Temp.: 2-8°C
• Solubility.: H2O: 50 mg/mL
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 230.141913202
• Heavy Atom Count: 17
• Complexity: 263

Purity/Quality:

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

BRL 54443 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(CC1)C2=CNC3=C2C=C(C=C3)O
• Uses: BRL-53443 is a potent 5-HT and dopamine receptor agonist. Neuroresearch product.

Technology Process of 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol

There total 4 articles about 3-(1-methylpiperidin-4-yl)-1H-indol-5-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: 86.0%

→ 5-hydroxy-3-(1-methylpiperidin-4-yl)indole (57477-39-1)

Guidance literature:

Reference yield:

5-methoxy-3-(1-methylpiperidin-4-yl)-1H-indole (111963-87-2) → 5-hydroxy-3-(1-methylpiperidin-4-yl)indole (57477-39-1)

Guidance literature:

With sodium hydroxide; In methanol; dichloromethane; ammonia; water; hydrogen bromide; acetic acid;

Reference yield:

indol-5-ol (1953-54-4) → 5-hydroxy-3-(1-methylpiperidin-4-yl)indole (57477-39-1)

Guidance literature:

indol-5-ol; N-tert-butoxycarbonyl-piperidone; With methanol; sodium methylate; Heating;

With hydrogen; platinum(IV) oxide; In methanol; at 25 ℃;

With lithium aluminium tetrahydride; In tetrahydrofuran; Heating;

upstream raw materials:

indol-5-ol

5-methoxy-3-(1-methylpiperidin-4-yl)-1H-indole

5-methoxy-3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole

Refernces

• 1、 -. "Aromatic ethers derived from indoles which are useful as medicaments". . . Retrieved 2008/06/13.