7-Methylindoline

Base Information

• Chemical Name: 7-Methylindoline
• CAS No.: 65673-86-1
• Molecular Formula: C9H11N
• Molecular Weight: 133.193
• Hs Code.: 2933990090
• European Community (EC) Number: 804-059-0
• DSSTox Substance ID: DTXSID70495227
• Nikkaji Number: J1.677.518E
• Wikidata: Q82343199
• Mol file: 65673-86-1.mol

Synonyms:7-methylindoline;65673-86-1;7-METHYL-2,3-DIHYDRO-1H-INDOLE;1H-Indole,2,3-dihydro-7-methyl-;1H-Indole, 2,3-dihydro-7-methyl-;MFCD07371631;2,3-dihydro-7-methylindole;7-methyl-indoline;7-methylindoline, AldrichCPR;SCHEMBL1870062;DTXSID70495227;WHPDSANSNOUOLZ-UHFFFAOYSA-N;AKOS002433778;MB04566;AC-25681;DS-11716;SY107457;A8898;AM20120470;BB 0261086;CS-0341596;FT-0652177;EN300-37460;O11660;Q-102590

Chemical Property of 7-Methylindoline

Chemical Property:

• Vapor Pressure: 0.056mmHg at 25°C
• Refractive Index: 1.555
• Boiling Point: 233.278 °C at 760 mmHg
• PKA: 5.17±0.20(Predicted)
• Flash Point: 98.394 °C
• PSA: 12.03000
• Density: 1.018 g/cm³
• LogP: 2.10100
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 133.089149355
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

7-Methyl-2,3-dihydro-1H-indole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)CCN2

Technology Process of 7-Methylindoline

There total 4 articles about 7-Methylindoline 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: 99.0%

7-methyl-1H-indole (933-67-5,261352-51-6) → 2,3-dihydro-7-methylindole (65673-86-1)

Guidance literature:

7-methyl-1H-indole; With sodium cyanoborohydride; acetic acid; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

With water; sodium hydroxide; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmc.2014.01.028

Reference yield:

→ 2,3-dihydro-7-methylindole (65673-86-1)

Guidance literature:

beim Erhitzen ueber den Schmelzpunkt;

Reference yield:

7-methyl-indoline-3-carboxylic acid (859191-13-2) + water (7732-18-5) → 2,3-dihydro-7-methylindole (65673-86-1)

Guidance literature:

at 230 - 235 ℃; im Rohr;

upstream raw materials:

7-methyl-1H-indole

7-methyl-indoline-3-carboxylic acid

water

Downstream raw materials:

4-(7-methyl-1H-indol-3-yl)butan-2-one

Refernces

• 1、 Zhou, Xiao-Yu,Chen, Xia. "Pd/C-Catalyzed transfer hydrogenation ofN-H indoles with trifluoroethanol and tetrahydroxydiboron as the hydrogen source". supporting information. p. 548 - 551. Retrieved 2021/02/06.
• 2、 Borghs, Jannik C.,Rueping, Magnus,Zubar, Viktoriia. "Hydrogenation or Dehydrogenation of N-Containing Heterocycles Catalyzed by a Single Manganese Complex". supporting information. . Retrieved 2020/05/19.