4-[(3-Phenylpropyl)amino]benzoic acid

Base Information

Chemical Name:4-[(3-Phenylpropyl)amino]benzoic acid
CAS No.:61439-70-1
Molecular Formula:C16H17NO2
Molecular Weight:255.316
Hs Code.:
ChEMBL ID:CHEMBL31867
DSSTox Substance ID:DTXSID70517519
Wikidata:Q82379601

Synonyms:61439-70-1;4-[(3-PHENYLPROPYL)AMINO]BENZOIC ACID;CHEMBL31867;SCHEMBL11258302;DTXSID70517519;ATWTWCPPIGTUDC-UHFFFAOYSA-N;AKOS006032317;p-[(3-Phenylpropyl)amino]benzoic Acid

Suppliers and Price of 4-[(3-Phenylpropyl)amino]benzoic acid

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 4-[(3-Phenylpropyl)amino]benzoic acid

Chemical Property:

XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:255.125928785
Heavy Atom Count:19
Complexity:266

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)CCCNC2=CC=C(C=C2)C(=O)O

Technology Process of 4-[(3-Phenylpropyl)amino]benzoic acid

There total 7 articles about 4-[(3-Phenylpropyl)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: 78.0%

: 61439-69-8
4-(3-phenyl-propylamino)-benzoic acid ethyl ester

: 61439-70-1
PPB

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

Reference yield:

: 61439-69-8
4-(3-phenyl-propylamino)-benzoic acid ethyl ester

: 180330-54-5
water ethanol

: 61439-70-1
PPB

Guidance literature:: With potassium hydroxide;

Reference yield:

: 637-59-2
1-Bromo-3-phenylpropane

: 61439-70-1
PPB

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / hexamethylphosphoric acid triamide / 24 h / 125 °C

2: 78 percent / KOH / aq. ethanol / 5 h / Heating

With potassium hydroxide; In N,N,N,N,N,N-hexamethylphosphoric triamide; ethanol;
DOI:10.1021/jm00364a009