Methyl 2-((2-methyl-1-oxopropyl)amino)benzoate

Base Information

• Chemical Name: Methyl 2-((2-methyl-1-oxopropyl)amino)benzoate
• CAS No.: 38163-38-1
• Molecular Formula: C12H15NO3
• Molecular Weight: 221.256
• European Community (EC) Number: 253-809-8
• UNII: 9PRP2PV3TW
• DSSTox Substance ID: DTXSID60191549
• Nikkaji Number: J294.606H
• Wikidata: Q83064076
• Mol file: 38163-38-1.mol

Synonyms:38163-38-1;Methyl 2-((2-methyl-1-oxopropyl)amino)benzoate;9PRP2PV3TW;methyl 2-(2-methylpropanoylamino)benzoate;methyl 2-(isobutyrylamino)benzoate;EINECS 253-809-8;UNII-9PRP2PV3TW;methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate;methyl 2-[(2-methylpropanoyl)amino]benzoate;5565-39-9;2-(isopropylcarbonylamino)-benzoic acid methyl ester;Benzoic acid, 2-[(2-methyl-1-oxopropyl)amino]-, methyl ester;BENZOIC ACID, 2-((2-METHYL-1-OXOPROPYL)AMINO)-, METHYL ESTER;2-Isobutyrylamino-benzoic acid methyl ester;methyl N-isobutyrylanthranilate;SCHEMBL5928724;DTXSID60191549;HMS1583G10;MFCD01214187;STK081740;AKOS002222463;methyl 2-(2-methylpropanamido)benzoate;AB00089463-01;AF-399/32351031;SR-01000213570;SR-01000213570-1;2-[(2-Methyl-1-oxopropyl)amino]benzoic acid methyl ester

Chemical Property of Methyl 2-((2-methyl-1-oxopropyl)amino)benzoate

Chemical Property:

• Vapor Pressure: 3.02E-06mmHg at 25°C
• Boiling Point: 388.6°Cat760mmHg
• Flash Point: 188.8°C
• PSA: 55.40000
• Density: 1.141g/cm³
• LogP: 2.14070
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 263

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)NC1=CC=CC=C1C(=O)OC

Technology Process of Methyl 2-((2-methyl-1-oxopropyl)amino)benzoate

There total 3 articles about Methyl 2-((2-methyl-1-oxopropyl)amino)benzoate 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%

→ methyl 2-(isobutyrylamino)benzoate (38163-38-1)

Guidance literature:

Reference yield: 78.0%

2-Methylpropionic anhydride (97-72-3) + 2-carbomethoxyaniline (134-20-3) → methyl 2-(isobutyrylamino)benzoate (38163-38-1)

Guidance literature:

at 100 ℃; for 2.5h;

DOI:10.1039/P19940003209

Reference yield:

isobutyryl chloride (79-30-1) + 2-carbomethoxyaniline (134-20-3) → methyl 2-(isobutyrylamino)benzoate (38163-38-1)

Guidance literature:

With triethylamine; In benzene; for 1h; Heating;

upstream raw materials:

isobutyryl chloride

2-carbomethoxyaniline

2-Methylpropionic anhydride

Downstream raw materials:

3-amino-2-isopropyl-3,4-dihydroquinazolin-4-one

2-Isopropyl-3H-quinazolin-4-one

3-acetylamino-2-isopropylquinazolin-4(3H)-one

C₂₅H₂₁N₃S

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