1-(2-Amino-3-methylphenyl)-2-methyl-1-propanone

Base Information

Chemical Name:1-(2-Amino-3-methylphenyl)-2-methyl-1-propanone
CAS No.:62819-86-7
Molecular Formula:C11H15NO
Molecular Weight:177.246
Hs Code.:
DSSTox Substance ID:DTXSID601242477

Synonyms:62819-86-7;SCHEMBL7543382;DTXSID601242477;1-(2-Amino-3-methylphenyl)-2-methyl-1-propanone

Suppliers and Price of 1-(2-Amino-3-methylphenyl)-2-methyl-1-propanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-(2-Amino-3-methylphenyl)-2-methyl-1-propanone

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:177.115364102
Heavy Atom Count:13
Complexity:189

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(=CC=C1)C(=O)C(C)C)N

Technology Process of 1-(2-Amino-3-methylphenyl)-2-methyl-1-propanone

There total 1 articles about 1-(2-Amino-3-methylphenyl)-2-methyl-1-propanone 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: 85.9%

: 78-82-0
Isobutyronitrile

: 95-53-4
o-toluidine

: 62819-86-7
2-isobutyloyl-6-methylaniline

Guidance literature:: Isobutyronitrile; o-toluidine; With boron trichloride; In toluene; at 20 ℃; for 1h;

With aluminium trichloride; In acetonitrile; for 5h; Heating;

With hydrogenchloride; In acetonitrile; for 2.5h; Heating;
DOI:10.1248/cpb.48.1

Reference yield:

: 62819-86-7
2-isobutyloyl-6-methylaniline

: N-[(3RS)-1-Cyclohexylcarbonylmethyl-2,3-dihydro-5-isopropyl-9-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea

Guidance literature:: Multi-step reaction with 5 steps

1.1: N-methylmorpholine / tetrahydrofuran / 0 - 20 °C

2.1: NH₃ / methanol / 20 °C

3.1: NaH / dimethylformamide / 4 h / 0 - 20 °C

3.2: 66.4 percent / dimethylformamide / 5.5 h / 20 °C

4.1: 100 percent / ammonium formate / 10 percent Pd/C / ethanol / 1 h / 20 °C

5.1: 62.6 percent / tetrahydrofuran / 1 h / 20 °C

With 4-methyl-morpholine; ammonia; ammonium formate; sodium hydride; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; N,N-dimethyl-formamide; 1.1: Acylation / 2.1: Cyclization / 3.1: deprotonation / 3.2: Alkylation / 4.1: Hydrogenolysis / 5.1: Addition;
DOI:10.1248/cpb.48.1

Reference yield:

: 62819-86-7
2-isobutyloyl-6-methylaniline

: N-[(3RS)-1-(3-Azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-isopropyl-9-methyl-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)urea

Guidance literature:: Multi-step reaction with 7 steps

1.1: N-methylmorpholine / tetrahydrofuran / 0 - 20 °C

2.1: NH₃ / methanol / 20 °C

3.1: NaH / dimethylformamide / 4 h / 0 - 20 °C

3.2: 100 percent / dimethylformamide / 5.5 h / 20 °C

4.1: 100 percent / 1 N aq. NaOH / 1,2-dimethoxy-ethane / 20 °C

5.1: 90 percent / N-ethyl-N'-(3-dimethylaminopropyl)carbodiimide*HCl; HOBT; Et₃N / dimethylformamide / 20 °C

6.1: 69.8 percent / ammonium formate / 10 percent Pd/C / ethanol / 1 h / 20 °C

7.1: 77.9 percent / tetrahydrofuran / 1 h / 20 °C

With 4-methyl-morpholine; sodium hydroxide; ammonia; ammonium formate; sodium hydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; 1,2-dimethoxyethane; ethanol; N,N-dimethyl-formamide; 1.1: Acylation / 2.1: Cyclization / 3.1: deprotonation / 3.2: Alkylation / 4.1: Hydrolysis / 5.1: amidation / 6.1: Hydrogenolysis / 7.1: Addition;
DOI:10.1248/cpb.48.1