Methyl 2-(1-methyl-1H-indol-3-yl)acetate

Base Information

• Chemical Name: Methyl 2-(1-methyl-1H-indol-3-yl)acetate
• CAS No.: 58665-00-2
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.241
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30455403
• Nikkaji Number: J291.503K
• Wikidata: Q82277369
• Mol file: 58665-00-2.mol

Synonyms:Methyl 2-(1-methyl-1H-indol-3-yl)acetate;58665-00-2;Methyl 2-(1-methylindol-3-yl)acetate;(1-Methyl-1H-indol-3-yl)acetic acid methyl ester;1H-Indole-3-acetic acid, 1-methyl-, methyl ester;SCHEMBL4012453;methyl 1-methylindole-3-acetate;DTXSID30455403;JWLZLLFFFQKDHR-UHFFFAOYSA-N;AB9751;MFCD14583100;AKOS022176123;DS-7691;methyl 2-(1-methyl-3-indolyl)acetate;Methyl (1-methyl-1H-indol-3-yl)acetate;N-methyl-3-indoleacetic acid methyl ester;CS-0151180;1-Methyl-1H-indole-3-acetic acid methyl ester;(1-Methyl-1H-indol-3-yl)-acetic acid methyl ester

Chemical Property of Methyl 2-(1-methyl-1H-indol-3-yl)acetate

Chemical Property:

• PSA: 31.23000
• LogP: 1.89380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 203.094628657
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

95+% ^*data from raw suppliers

(1-Methyl-1H-indol-3-yl)acetic acid methyl ester 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C=C(C2=CC=CC=C21)CC(=O)OC

Technology Process of Methyl 2-(1-methyl-1H-indol-3-yl)acetate

There total 13 articles about Methyl 2-(1-methyl-1H-indol-3-yl)acetate 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%

methanol (67-56-1) + 2-(1-methyl-1H-indol-3-yl)acetic acid (1912-48-7) → (1-methyl-1H-indol-3-yl)acetic acid methyl ester (58665-00-2)

Guidance literature:

With hydrogenchloride; for 1h; Heating;

DOI:10.1016/S0968-0896(03)00220-7

Reference yield: 100.0%

2-(1-methyl-1H-indol-3-yl)acetic acid (1912-48-7) + diazomethyl-trimethyl-silane (18107-18-1) → (1-methyl-1H-indol-3-yl)acetic acid methyl ester (58665-00-2)

Guidance literature:

With methanol; In hexane; benzene; at 0 - 20 ℃; for 14h;

Reference yield: 95.0%

indole-3-acetic acid (87-51-4) + carbonic acid dimethyl ester (616-38-6) → (1-methyl-1H-indol-3-yl)acetic acid methyl ester (58665-00-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 8h; Reflux; Green chemistry;

DOI:10.1021/op0102215

upstream raw materials:

diazomethane

indole-3-acetic acid

methanol

2-(1-methyl-1H-indol-3-yl)acetic acid

Downstream raw materials:

N-benzyl-2-(1-methyl-1H-indol-3-yl)acetamide

1-methylindole-3-acetamide

2-(1-Methyl-1H-indol-3-yl)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid methyl ester

3-(2-hydroxyethyl)-1-methylindole