Methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate

Base Information

• Chemical Name: Methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate
• CAS No.: 357426-12-1
• Molecular Formula: C₁₂H₁₅NO₂
• Molecular Weight: 205.257
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID30458712
• Mol file: 357426-12-1.mol

Synonyms:357426-12-1;Methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate;3-aminomethyl-indan-1-carboxylic acid methyl ester;SCHEMBL4958825;SCHEMBL14567623;DTXSID30458712;VLYNBHYMQUZEDV-UHFFFAOYSA-N;AKOS015894498;SB78546;FT-0707485;A822967;Methyl3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate;3-(AMINOMETHYL)-2,3-DIHYDRO-1H-INDENE-1-CARBOXYLIC ACID METHYL ESTER

Chemical Property of Methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.0004mmHg at 25°C
• Refractive Index: 1.549
• Boiling Point: 316.8 °C at 760 mmHg
• Flash Point: 169.1 °C
• PSA: 52.32000
• Density: 1.134 g/cm³
• LogP: 2.08950
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 205.110278721
• Heavy Atom Count: 15
• Complexity: 242

Purity/Quality:

97% ^*data from raw suppliers

Methyl3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1CC(C2=CC=CC=C12)CN

Technology Process of Methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate

There total 5 articles about Methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate 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: 89.0%

methyl 3-cyano-3-(trimethylsilanyloxy)indan-1-carboxylate (357426-11-0) → methyl 3-(aminomethyl)indan-1-carboxylate (357426-12-1)

Guidance literature:

With hydrogen; toluene-4-sulfonic acid; palladium hydroxide - carbon; water; In methanol; at 50 ℃; for 24h; under 2585.74 Torr;

DOI:10.1021/jo049122q

Reference yield:

methanol (67-56-1) + 3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile (474024-38-9) → methyl 3-(aminomethyl)indan-1-carboxylate (357426-12-1)

Guidance literature:

methanol; 3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile; With sulfuric acid; at 0 - 5 ℃;

With hydrogen; 5%-palladium/activated carbon; at 0 - 55 ℃; under 2585.81 Torr;

Reference yield:

3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile (474024-38-9) → methyl 3-(aminomethyl)indan-1-carboxylate (357426-12-1)

Guidance literature:

With sulfuric acid; hydrogen; palladium on activated charcoal; In methanol; at 50 ℃; under 2585.81 Torr;

DOI:10.1080/00397910701771231

upstream raw materials:

methyl 3-cyano-3-(trimethylsilanyloxy)indan-1-carboxylate

3-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile

3-oxoindan-1-carboxylic acid

methyl 3-oxo-2,3-dihydro-1H-indene-1-carboxylate

Downstream raw materials:

1,5-methano-2-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine