(1-methyl-1H-indol-4-yl)methanol

Base Information

• Chemical Name: (1-methyl-1H-indol-4-yl)methanol
• CAS No.: 859850-95-6
• Molecular Formula: C10H11NO
• Molecular Weight: 161.20044
• ChEMBL ID: CHEMBL4580574
• DSSTox Substance ID: DTXSID20589842
• Wikidata: Q82483455
• Mol file: 859850-95-6.mol

Synonyms:(1-methyl-1H-indol-4-yl)methanol;859850-95-6;(1-methylindol-4-yl)methanol;CHEMBL4580574;1H-Indole-4-methanol,1-methyl-;SCHEMBL1288089;DTXSID20589842;AMY41738;BDBM50536776;MFCD08690263;STK501411;AKOS000321590;LS-01493;F97338;EN300-1867343

Chemical Property of (1-methyl-1H-indol-4-yl)methanol

Chemical Property:

• Vapor Pressure: 3.73E-05mmHg at 25°C
• Refractive Index: 1.585
• Boiling Point: 338.8 °C at 760 mmHg
• Flash Point: 158.7 °C
• Density: 1.12 g/cm³
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 161.084063974
• Heavy Atom Count: 12
• Complexity: 160

Purity/Quality:

98%min ^*data from raw suppliers

(1-Methyl-1H-indol-4-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C=CC2=C(C=CC=C21)CO

Technology Process of (1-methyl-1H-indol-4-yl)methanol

There total 2 articles about (1-methyl-1H-indol-4-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:

1-methyl-1H-indol-4-carboxaldehyde (133994-99-7) → (1-methyl-1H-indol-4-yl)methanol (859850-95-6)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 ℃; for 0.5h;

Reference yield:

4-formyl indole (1074-86-8) → (1-methyl-1H-indol-4-yl)methanol (859850-95-6)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / N,N-dimethyl-formamide / 0.08 h

1.2: 0.5 h

2.1: sodium tetrahydroborate; methanol / 0.5 h / 0 °C

With methanol; sodium tetrahydroborate; sodium hydride; In N,N-dimethyl-formamide;

Reference yield: 50.0%

(1-methyl-1H-indol-4-yl)methanol (859850-95-6) + (R)-2-(prop-1-en-2-yl)-1-tosylaziridine → C22H26N2O3S

Guidance literature:

With bis(norbornadiene)rhodium(l)tetrafluoroborate; In 1,2-dichloro-ethane; at 25 ℃; for 0.25h; enantioselective reaction;

DOI:10.1021/acscatal.7b00870

upstream raw materials:

4-formyl indole

1-methyl-1H-indol-4-carboxaldehyde

Downstream raw materials:

4-(bromomethyl)-1-methyl-1H-indole