Butyl 3-aminobenzoate

Base Information

• Chemical Name: Butyl 3-aminobenzoate
• CAS No.: 26218-03-1
• Molecular Formula: C11H15NO2
• Molecular Weight: 193.246
• DSSTox Substance ID: DTXSID20579460
• Nikkaji Number: J167.704G
• Wikidata: Q82469984
• Mol file: 26218-03-1.mol

Synonyms:butyl 3-aminobenzoate;26218-03-1;Benzoic acid, 3-amino-, butyl ester;butyl3-aminobenzoate;n-butyl 3-aminobenzoate;m-Aminobenzoesaure-n-butylester;SCHEMBL5175629;DTXSID20579460;AKOS000114243;VS-06971;AP-970/11561863

Chemical Property of Butyl 3-aminobenzoate

Chemical Property:

• PSA: 52.32000
• LogP: 2.80690
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

Butyl 3-aminobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC(=CC=C1)N

Technology Process of Butyl 3-aminobenzoate

There total 3 articles about Butyl 3-aminobenzoate 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: 95.0%

n-butyl 3-nitrobenzoate (6268-25-3) → butyl ester of m-aminobenzoic acid (26218-03-1)

Guidance literature:

With hydrogen; nickel; In ethyl acetate; at 45 ℃; for 8h; under 760.051 Torr;

Reference yield: 90.0%

meta-aminobenzoic acid (99-05-8,159139-79-4) + butan-1-ol (71-36-3) → butyl ester of m-aminobenzoic acid (26218-03-1)

Guidance literature:

With thionyl chloride; for 2h; Heating;

DOI:10.1016/0040-4039(96)01351-2

Reference yield:

1-bromo-butane (109-65-9) + meta-aminobenzoic acid (99-05-8,159139-79-4) → butyl ester of m-aminobenzoic acid (26218-03-1)

Guidance literature:

With potassium carbonate; In water; ethyl acetate; N,N-dimethyl-formamide;

upstream raw materials:

n-butyl 3-nitrobenzoate

meta-aminobenzoic acid

butan-1-ol

1-bromo-butane

Downstream raw materials:

C₁₁H₁₃N₃O₂

3-Isocyanato-benzoic acid butyl ester

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