4-({[4-(Heptyloxy)phenyl]methyl}amino)benzoic acid

Base Information

Chemical Name:4-({[4-(Heptyloxy)phenyl]methyl}amino)benzoic acid
CAS No.:61440-55-9
Molecular Formula:C21H27NO3
Molecular Weight:341.45
Hs Code.:
ChEMBL ID:CHEMBL29026
DSSTox Substance ID:DTXSID00517547
Wikidata:Q82379637

Synonyms:61440-55-9;CHEMBL29026;SCHEMBL11254732;DTXSID00517547;JGVDJRUTYQBHBR-UHFFFAOYSA-N;4-({[4-(HEPTYLOXY)PHENYL]METHYL}AMINO)BENZOIC ACID;p-{[p-(Heptyloxy)benzyl]amino}benzoic Acid

Suppliers and Price of 4-({[4-(Heptyloxy)phenyl]methyl}amino)benzoic acid

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

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Chemical Property of 4-({[4-(Heptyloxy)phenyl]methyl}amino)benzoic acid

Chemical Property:

XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:11
Exact Mass:341.19909372
Heavy Atom Count:25
Complexity:358

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)O

Technology Process of 4-({[4-(Heptyloxy)phenyl]methyl}amino)benzoic acid

There total 5 articles about 4-({[4-(Heptyloxy)phenyl]methyl}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: 85.0%

: 61440-54-8
ethyl p-{[p-(heptyloxy)benzyl]amino}benzoate

: 61440-55-9
p-{[p-(Heptyloxy)benzyl]amino}benzoic Acid

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

Reference yield:

: 103481-66-9
1-(bromomethyl)-4-(heptyloxy)benzene

: 61440-55-9
p-{[p-(Heptyloxy)benzyl]amino}benzoic Acid

Guidance literature:: Multi-step reaction with 2 steps

1: 47 percent / hexamethylphosphoric acid triamide / 24 h / 125 °C

2: 85 percent / KOH / aq. ethanol / 5 h / Heating

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

Reference yield:

: 94-09-7
p-aminoethylbenzoate

: 61440-55-9
p-{[p-(Heptyloxy)benzyl]amino}benzoic Acid

Guidance literature:: Multi-step reaction with 2 steps

1: 47 percent / hexamethylphosphoric acid triamide / 24 h / 125 °C

2: 85 percent / KOH / aq. ethanol / 5 h / Heating

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