Methyl 2-((3-methyl-1-oxobutyl)amino)benzoate

Base Information

Chemical Name:Methyl 2-((3-methyl-1-oxobutyl)amino)benzoate
CAS No.:84604-44-4
Molecular Formula:C13H17 N O3
Molecular Weight:235.283
Hs Code.:2924299090
European Community (EC) Number:283-324-7
DSSTox Substance ID:DTXSID10233584
Nikkaji Number:J333.494E
Wikidata:Q83115165
Mol file:84604-44-4.mol

Synonyms:84604-44-4;Methyl 2-((3-methyl-1-oxobutyl)amino)benzoate;EINECS 283-324-7;methyl 2-[(3-methyl-1-oxobutyl)amino]benzoate;Oprea1_201923;Oprea1_687187;DTXSID10233584;STK412653;AKOS002951438;methyl 2-(3-methylbutanamido)benzoate;methyl 2-[(3-methylbutanoyl)amino]benzoate;2-[(3-Methyl-1-oxobutyl)amino]benzoic acid methyl ester

Suppliers and Price of Methyl 2-((3-methyl-1-oxobutyl)amino)benzoate

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 8 raw suppliers

Chemical Property of Methyl 2-((3-methyl-1-oxobutyl)amino)benzoate

Chemical Property:

Vapor Pressure:1.32E-06mmHg at 25°C
Boiling Point:400°C at 760 mmHg
PKA:14.51±0.70(Predicted)
Flash Point:195.7°C
PSA：58.89000
Density:1.118g/cm³
LogP:3.10730
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:235.12084340
Heavy Atom Count:17
Complexity:276

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-((3-methyl-1-oxobutyl)amino)benzoate

There total 1 articles about Methyl 2-((3-methyl-1-oxobutyl)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%

: 134-20-3
2-carbomethoxyaniline

: 108-12-3
isopentanoyl chloride

: 84604-44-4
2-(3-Methyl-butyrylamino)-benzoic acid methyl ester

Guidance literature:: With potassium carbonate; In benzene; Heating;
DOI:10.1248/cpb.39.1746

Reference yield: 66.0%

: 84604-44-4
2-(3-Methyl-butyrylamino)-benzoic acid methyl ester

: 137782-22-0
[2-(3-Methyl-butylamino)-phenyl]-methanol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran;
DOI:10.1248/cpb.39.1746

Reference yield:

: 84604-44-4
2-(3-Methyl-butyrylamino)-benzoic acid methyl ester

: 137760-73-7
[2-(1H-Imidazol-2-ylsulfanylmethyl)-phenyl]-(3-methyl-butyl)-amine

Guidance literature:: Multi-step reaction with 2 steps

1: 66 percent / LiAlH₄ / tetrahydrofuran

2: 1.) SOCl₂ / 1.) CH₂Cl₂, -5 degC, 30min, 2.) EtOH, 1h

With lithium aluminium tetrahydride; thionyl chloride; In tetrahydrofuran;
DOI:10.1248/cpb.39.1746