Propyl 3-aminobenzoate

Base Information

• Chemical Name: Propyl 3-aminobenzoate
• CAS No.: 35007-02-4
• Molecular Formula: C10H13NO2
• Molecular Weight: 179.21600
• DSSTox Substance ID: DTXSID80579461
• Nikkaji Number: J167.703I
• Wikidata: Q82469985
• Mol file: 35007-02-4.mol

Synonyms:propyl 3-aminobenzoate;35007-02-4;SCHEMBL1478327;DTXSID80579461;WPRQYDFLCDTFGC-UHFFFAOYSA-N;3-Amino-benzoic acid propyl ester;AKOS000114242

Chemical Property of Propyl 3-aminobenzoate

Chemical Property:

• PSA: 52.32000
• LogP: 2.41680
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 179.094628657
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

3-AMINO-BENZOIC ACID PROPYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Propyl 3-aminobenzoate

There total 3 articles about Propyl 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: 92.0%

propan-1-ol (71-23-8) + meta-aminobenzoic acid (99-05-8,159139-79-4) → n-propyl 3-aminobenzoate (35007-02-4)

Guidance literature:

With sulfuric acid; Reflux;

DOI:10.1021/acs.jmedchem.5b01631

Reference yield:

1-bromo-butane (109-65-9) + propyl bromide (106-94-5) → n-propyl 3-aminobenzoate (35007-02-4)

Guidance literature:

Reference yield:

propyl 3-nitrobenzoate (59265-70-2) → n-propyl 3-aminobenzoate (35007-02-4)

Guidance literature:

With hydrogen; nickel;

upstream raw materials:

propyl 3-nitrobenzoate

1-bromo-butane

propyl bromide

propan-1-ol

Downstream raw materials:

C₁₉H₁₈N₄O₅

C₁₀H₁₁N₃O₂

propyl 3-(4-(2-aminobenzoyl)-1H-1,2,3-triazol-1-yl)benzoate

3-(3-Methyl-ureido)-benzoic acid propyl ester