4-{[3-(4-Chlorophenyl)propyl]amino}benzoic acid

Base Information

Chemical Name:4-{[3-(4-Chlorophenyl)propyl]amino}benzoic acid
CAS No.:61440-62-8
Molecular Formula:C16H16ClNO2
Molecular Weight:289.762
Hs Code.:
ChEMBL ID:CHEMBL31775
DSSTox Substance ID:DTXSID90517551
Wikidata:Q82379642

Synonyms:61440-62-8;4-{[3-(4-Chlorophenyl)propyl]amino}benzoic acid;CHEMBL31775;SCHEMBL11073731;DTXSID90517551;ZNEFGWKIWCVYPY-UHFFFAOYSA-N;4-[3-(p-Chlorophenyl)propylamino]benzoic acid

Suppliers and Price of 4-{[3-(4-Chlorophenyl)propyl]amino}benzoic acid

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 0 raw suppliers

Chemical Property of 4-{[3-(4-Chlorophenyl)propyl]amino}benzoic acid

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:289.0869564
Heavy Atom Count:20
Complexity:295

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CCCNC2=CC=C(C=C2)C(=O)O)Cl

Technology Process of 4-{[3-(4-Chlorophenyl)propyl]amino}benzoic acid

There total 7 articles about 4-{[3-(4-Chlorophenyl)propyl]amino}benzoic acid 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: 97.0%

: 61440-61-7
ethyl 4-[3-(p-chlorophenyl)propylamino]benzoate

: 61440-62-8
4-<3-(p-Chlorphenyl)propylamino>benzoesaeure

Guidance literature:: With potassium hydroxide; In ethanol; for 5h; Heating;
DOI:10.1021/jm00364a009

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 61440-62-8
4-<3-(p-Chlorphenyl)propylamino>benzoesaeure

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / CH₂Cl₂ / Ambient temperature

2: 97 percent / KOH / aq. ethanol / 5 h / Heating

With potassium hydroxide; triethylamine; In ethanol; dichloromethane;
DOI:10.1021/jm00364a009

Reference yield:

: 95269-17-3
ethyl 4-<(4-chlorocinnamoyl)amino>benzoate

: 61440-62-8
4-<3-(p-Chlorphenyl)propylamino>benzoesaeure

Guidance literature:: Multi-step reaction with 3 steps

1: 89 percent / H₂ / 10percent Pd/C / tetrahydrofuran / 2 h / 1810.02 Torr

2: 68 percent / diborane / tetrahydrofuran / a) RT, 1 h, b) reflux, 90 min

3: 97 percent / KOH / aq. ethanol / 5 h / Heating

With potassium hydroxide; hydrogen; diborane; palladium on activated charcoal; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00364a009