Indole-7-methanol

Base Information

• Chemical Name: Indole-7-methanol
• CAS No.: 1074-87-9
• Molecular Formula: C9H9NO
• Molecular Weight: 147.177
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID60378474
• Nikkaji Number: J2.364.595E
• Wikidata: Q72483027
• Mol file: 1074-87-9.mol

Synonyms:Indole-7-methanol;1074-87-9;(1H-indol-7-yl)methanol;1H-indol-7-ylmethanol;7-Hydroxymethylindole;7-(HYDROXYMETHYL)-1H-INDOLE;1H-INDOLE-7-METHANOL;7-indolemethanol;7-Indole methanol;7-(Hydroxymethyl)indole;1H-indol-7-yl-methanol;(1H-indol-7-yl)-methanol;indole-7-methanol, AldrichCPR;SCHEMBL1137818;DTXSID60378474;UBJBKRMNBMMMHZ-UHFFFAOYSA-N;AMY19177;MFCD02179597;AKOS006228640;AB11370;PS-3334;CS-0052534;FT-0633302;A801711

Chemical Property of Indole-7-methanol

Chemical Property:

• Vapor Pressure: 7.89E-06mmHg at 25°C
• Melting Point: 44-48 °C
• Refractive Index: 1.705
• Boiling Point: 360.6 °C at 760 mmHg
• PKA: 14?+-.0.10(Predicted)
• Flash Point: 171.885 °C
• PSA: 36.02000
• Density: 1.272 g/cm³
• LogP: 1.66020
• Storage Temp.: Keep Cold
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 147.068413911
• Heavy Atom Count: 11
• Complexity: 138

Purity/Quality:

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

Indole-7-methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 24/25-39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Indole-7-methanol

There total 12 articles about Indole-7-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: 100.0%

7-tetrahydropyran-2-yloxymethyl-indole (886841-17-4) → indole-7-methanol (1074-87-9)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 60 ℃; for 0.5h;

DOI:10.1080/00397910500503470

Reference yield: 98.0%

methyl 1H-indole-7-carboxylate (93247-78-0) → indole-7-methanol (1074-87-9)

Guidance literature:

methyl 1H-indole-7-carboxylate; With lithium aluminium tetrahydride; In tetrahydrofuran; for 2h; Heating / reflux;

With water; In tetrahydrofuran; at 20 ℃;

Reference yield: 39.0%

2,2-Dimethyl-propionic acid 2-nitro-3-((E)-2-pyrrolidin-1-yl-vinyl)-benzyl ester (1026131-79-2) → indole-7-methanol (1074-87-9)

Guidance literature:

With nickel; hydrazine hydrate; In tetrahydrofuran; methanol; at 20 ℃; for 6h;

DOI:10.1080/00397910500503470

upstream raw materials:

isatin-7-carboxylic acid

methyl 1H-indole-7-carboxylate

7-tetrahydropyran-2-yloxymethyl-indole

2,2-Dimethyl-propionic acid 2-nitro-3-((E)-2-pyrrolidin-1-yl-vinyl)-benzyl ester

Downstream raw materials:

7-(tert-butyldiphenyl-silanyloxymethyl)-1H-indole

7-methoxymethyl-1-methyl-1H-indole

methyl 3-(indol-7-yl)acrylate

C₃₉H₅₈N₂O₅SSi

Refernces

• 1、 -. "CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE". Page/Page column 78; 106-107. . Retrieved 2010/11/08.
• 2、 -. "N-benzyl dihydroindole LTD4 antagonists". . . Retrieved 2008/06/13.