Isopropyl 3-amino-4-methylbenzoate

Base Information

• Chemical Name: Isopropyl 3-amino-4-methylbenzoate
• CAS No.: 21447-47-2
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• Hs Code.: 2922499990
• European Community (EC) Number: 244-393-9
• DSSTox Substance ID: DTXSID20175724
• Nikkaji Number: J226.208H
• Wikidata: Q72485727
• Mol file: 21447-47-2.mol

Synonyms:Isopropyl 3-amino-4-methylbenzoate;21447-47-2;ISOPROPYL 3-AMINO-4-METHYL BENZOATE;propan-2-yl 3-amino-4-methylbenzoate;EINECS 244-393-9;SCHEMBL10784992;DTXSID20175724;BCP24487;AKOS009166003;FT-0638122;3-Amino-4-methylbenzoic acid 1-methylethyl ester;A815387;W-110532

Chemical Property of Isopropyl 3-amino-4-methylbenzoate

Chemical Property:

• Vapor Pressure: 0.000389mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 317.29 °C at 760 mmHg
• PKA: 3.40±0.10(Predicted)
• Flash Point: 169.451 °C
• PSA: 52.32000
• Density: 1.078 g/cm³
• LogP: 2.72360
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 204

Purity/Quality:

98%min ^*data from raw suppliers

Isopropyl3-amino-4-methylbenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)OC(C)C)N

Technology Process of Isopropyl 3-amino-4-methylbenzoate

There total 1 articles about Isopropyl 3-amino-4-methylbenzoate 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:

→ isopropyl 3-amino-4-methylbenzoate (21447-47-2)

Guidance literature:

3-Nitro-4-methyl-benzoylchlorid, 1) Isopropanol, 2) H2 (katalyt.);

DOI:10.1021/jm00301a043