Demethylnaftifine

Base Information

• Chemical Name: Demethylnaftifine
• CAS No.: 92610-10-1
• Molecular Formula: C20H19N
• Molecular Weight: 273.378
• UNII: 5289FW5E2K
• ChEMBL ID: CHEMBL630
• Nikkaji Number: J1.804.639C,J2.494.542A
• Wikidata: Q27260979
• Mol file: 92610-10-1.mol

Synonyms:Demethylnaftifine;5289FW5E2K;UNII-5289FW5E2K;92610-10-1;N-(3-Phenyl-2-propenyl)-1-naphthalenemethanamine (E)-;1-Naphthalenemethanamine, N-((2E)-3-phenyl-2-propen-1-yl)-;(E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine;CHEMBL630;SCHEMBL14628549;Q27260979

Chemical Property of Demethylnaftifine

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 273.151749610
• Heavy Atom Count: 21
• Complexity: 316

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C=CCNCC2=CC=CC3=CC=CC=C32
• Isomeric SMILES: C1=CC=C(C=C1)/C=C/CNCC2=CC=CC3=CC=CC=C32

Technology Process of Demethylnaftifine

There total 8 articles about Demethylnaftifine 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: 100.0%

N-(3-phenyl-2-propenylidene)-1-naphthalenemethanamine (98977-78-7) → (E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine (92610-10-1)

Guidance literature:

With sodium tetrahydroborate; In methanol; at 40 ℃; for 0.333333h;

DOI:10.1021/jm00151a019

Reference yield: 91.0%

(E)-3-phenylpropenal (14371-10-9) + (naphth-1-yl)methylamine (118-31-0) → (E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine (92610-10-1)

Guidance literature:

With sodium tetrahydroborate; In ethanol; at 20 ℃; for 24h;

DOI:10.1021/acscatal.5b00606

Reference yield: 86.0%

(naphth-1-yl)methylamine (118-31-0) + (2E)-3-phenyl-2-propen-1-ol (4407-36-7) → (E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-amine (92610-10-1)

Guidance literature:

(naphth-1-yl)methylamine; (2E)-3-phenyl-2-propen-1-ol; With manganese(IV) oxide; sodium tetrahydroborate; In dichloromethane; for 17h; Heating;

With methanol; at 0 - 20 ℃; for 0.666667h;

DOI:10.1016/S0040-4039(02)01722-7

upstream raw materials:

N-(3-phenyl-2-propenylidene)-1-naphthalenemethanamine

(naphth-1-yl)methylamine

(2E)-3-phenyl-2-propen-1-ol

(E)-3-phenylpropenal

Downstream raw materials:

(E)-N-isopropyl-N-(3-phenyl-2-propenyl)-1-naphthalenemethanamine

(E)-N,N-bis(3-phenyl-2-propenyl)-1-naphthalenemethanamine

naftifine

(E)-N-acetyl-N-(3-phenyl-2-propenyl)-1-naphthalenemethanamine