(5-methoxy-1H-indol-2-yl)methanol

Base Information

• Chemical Name: (5-methoxy-1H-indol-2-yl)methanol
• CAS No.: 21778-77-8
• Molecular Formula: C10H11NO2
• Molecular Weight: 177.203
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID00441353
• Nikkaji Number: J2.928.065G
• Wikidata: Q82258109
• Mol file: 21778-77-8.mol

Synonyms:(5-methoxy-1H-indol-2-yl)methanol;21778-77-8;2-HYDROXYMETHYL-5-METHOXYINDOLE;MFCD00297144;5-Methoxy-1H-indole-2-methanol;5-Methoxyindole-2-methanol;SCHEMBL11622077;DTXSID00441353;RYLKQWQEKIQUMQ-UHFFFAOYSA-N;AMY17233;STK504707;AKOS005171676;NCGC00324320-01;AS-38104;SY240236;BB 0256777;FT-0706848;EN300-748908;AB01319778-02

Chemical Property of (5-methoxy-1H-indol-2-yl)methanol

Chemical Property:

• PSA: 45.25000
• LogP: 1.66880
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.078978594
• Heavy Atom Count: 13
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

(5-methoxy-1H-indol-2-yl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)NC(=C2)CO

Technology Process of (5-methoxy-1H-indol-2-yl)methanol

There total 4 articles about (5-methoxy-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: 98.0%

ethyl 5-methoxy-1H-indole-2-carboxylate (4792-58-9) → (5-methoxy-1H-indol-2-yl)methanol (21778-77-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; diethyl ether; for 1.5h; Heating;

DOI:10.1021/jm00394a024

Reference yield: 94.0%

5-methoxy-1H-indole-2-carboxylic acid (4382-54-1) → (5-methoxy-1H-indol-2-yl)methanol (21778-77-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 - 20 ℃; for 2h;

DOI:10.1021/ja511231f

Reference yield: 72.0%

methyl 5-methoxyindole-2-carboxylate (67929-86-6) → (5-methoxy-1H-indol-2-yl)methanol (21778-77-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 20 ℃; for 5h; Cooling with ice;

DOI:10.1016/j.ejmech.2016.05.065

upstream raw materials:

ethyl 5-methoxy-1H-indole-2-carboxylate

methyl 5-methoxyindole-2-carboxylate

5-methoxy-1H-indole-2-carboxylic acid

Downstream raw materials:

5-methoxylindole

(5-methoxy-1-(1-phenylvinyl)-1H-indol-2-yl)methanol

6-methoxy-1,2-bis(4-methoxyphenyl)-4-phenyl-9H-carbazole

C₂₈H₂₈IN₃O₃

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