Methyl 4-[(3-phenylpropyl)amino]benzoate

Base Information

• Chemical Name: Methyl 4-[(3-phenylpropyl)amino]benzoate
• CAS No.: 647035-70-9
• Molecular Formula: C17H19NO2
• Molecular Weight: 269.343
• DSSTox Substance ID: DTXSID70655728
• Nikkaji Number: J1.989.695A
• Wikidata: Q82569962

Synonyms:647035-70-9;METHYL 4-[(3-PHENYLPROPYL)AMINO]BENZOATE;SCHEMBL18326994;DTXSID70655728;AKOS009047627;4-(3-Phenylpropylamino)benzoic acid methyl ester

Chemical Property of Methyl 4-[(3-phenylpropyl)amino]benzoate

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 269.141578849
• Heavy Atom Count: 20
• Complexity: 279

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=C(C=C1)NCCCC2=CC=CC=C2

Technology Process of Methyl 4-[(3-phenylpropyl)amino]benzoate

There total 8 articles about Methyl 4-[(3-phenylpropyl)amino]benzoate 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: 22.0%

3-phenyl-propionaldehyde (104-53-0) + 4-methoxycarbonyl aniline (619-45-4) → 4-(3-phenyl-propylamino)benzoic acid methyl ester (647035-70-9)

Guidance literature:

With sodium tris(acetoxy)borohydride; acetic acid; sodium sulfate; In 1,2-dichloro-ethane; at 20 ℃; for 24h;

DOI:10.1002/anie.201609480

Reference yield:

4-[(2-nitro-benzenesulfonyl)-(3-phenyl-propyl)-amino]-benzoic acid methyl ester → 4-(3-phenyl-propylamino)benzoic acid methyl ester (647035-70-9)

Guidance literature:

With thiophenol; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/ol035942y

Reference yield:

4-(3-phenyl-propylideneamino)-benzoic acid methyl ester → 4-(3-phenyl-propylamino)benzoic acid methyl ester (647035-70-9)

Guidance literature:

With sodium cyanoborohydride; In methanol; at 20 ℃;

DOI:10.1016/j.bmcl.2007.01.004

upstream raw materials:

3-phenyl-propionaldehyde

4-methoxycarbonyl aniline

1-Bromo-3-phenylpropane

methyl 4-iodobenzoate

Downstream raw materials:

C₃₂H₄₄N₄O₇

2(S)-(2(S)-{4-[(5-guanidino-pentanoyl)-(3-phenyl-propyl)-amino]-benzoylamino}-3-methyl-butyrylamino)-3-phenyl-propionic acid

4-{tert-butoxycarbonylmethyl-[5-(N,N'-bis-tert-butoxycarbonyl)guanidino-pentanoyl]amino}-benzoic acid methyl ester

C₃₃H₄₆N₄O₇

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