N-benzyl-6-(4-phenylbutoxy)hexan-1-amine

Base Information

• Chemical Name: N-benzyl-6-(4-phenylbutoxy)hexan-1-amine
• CAS No.: 97664-55-6
• Molecular Formula: C23H33NO
• Molecular Weight: 339.521
• Hs Code.: 2922199090
• European Community (EC) Number: 692-628-2
• DSSTox Substance ID: DTXSID40448220
• Nikkaji Number: J1.099.347D
• Wikidata: Q72440626
• Mol file: 97664-55-6.mol

Synonyms:N-benzyl-6-(4-phenylbutoxy)hexan-1-amine;97664-55-6;6-N-Benzylamino-1-(4'-phenylbutoxy)Hexane;Benzenemethanamine, N-[6-(4-phenylbutoxy)hexyl]-;N-[6-(4-Phenylbutoxy)hexyl]-benzenemethanamine;SCHEMBL456614;DTXSID40448220;JWLIKZBRVQRFNF-UHFFFAOYSA-N;[6-(4-Phenylbutoxy)hexyl]benzylamine;AKOS016003681;N-benzyl-6-(4-phenylbutoxy)hexylamine;SB83545;4-Phenylbutyl 6-(benzylamino)hexyl ether;AC-25488;BS-49596;FT-0750733;A858613

Chemical Property of N-benzyl-6-(4-phenylbutoxy)hexan-1-amine

Chemical Property:

• Boiling Point: 467.238 °C at 760 mmHg
• PKA: 9.76±0.19(Predicted)
• Flash Point: 207.26 °C
• PSA: 21.26000
• Density: 0.979 g/cm³
• LogP: 5.76700
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Sparingly), Ethyl Acetate (Slightly)
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 14
• Exact Mass: 339.256214676
• Heavy Atom Count: 25
• Complexity: 282

Purity/Quality:

[6-(4-Phenylbutoxy)hexyl]benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCCCOCCCCCCNCC2=CC=CC=C2

Technology Process of N-benzyl-6-(4-phenylbutoxy)hexan-1-amine

There total 11 articles about N-benzyl-6-(4-phenylbutoxy)hexan-1-amine 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: 76.0%

6-bromohexyl 4-phenylbutyl ether (94749-73-2) + benzylamine (100-46-9) → N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine (97664-55-6)

Guidance literature:

benzylamine; With triethylamine; potassium iodide; In acetonitrile; at 45 ℃;

6-bromohexyl 4-phenylbutyl ether; In acetonitrile;

DOI:10.1080/00304948.2015.1005988

Reference yield:

N-[6-(4-phenylbutoxy)hexyl] benzenemethanamine hydrochloride (163923-18-0) → N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine (97664-55-6)

Guidance literature:

With sodium carbonate; In dichloromethane; water; at 25 - 30 ℃; for 0.5h; pH=~ 8;

Reference yield:

6-(4-phenylbutyloxy)hexyl methanesulfonate (135235-81-3) + benzylamine (100-46-9) → N-[6-(4-phenylbutoxy)hexyl]benzenemethanamine (97664-55-6)

Guidance literature:

With sodium hydroxide; In toluene; at 110 ℃; for 12h;

upstream raw materials:

benzaldehyde

D 2543

6-bromohexyl 4-phenylbutyl ether

benzylamine

Downstream raw materials:

C₃₂⁽¹³⁾CH₄₁NO₅

salmeterol xinafoate

7-({benzyl[6-(4-phenylbutoxy)hexyl]amino}acetyl)-4-hydroxy-1,3-benzothiazol-2(3H)-one

5-(benzyloxy)-8-({benzyl[6-(4-phenylbutoxy)hexyl]amino}acetyl)-2H-1,4-benzoxazin-3 (4H)-one

Refernces

• 1、 Lu, Yongping,Xu, Xinliang,Zhang, Xingxian. "An efficient and practical synthesis of salmeterol". . p. 168 - 172. Retrieved 2015/05/20.
• 2、 -. "NOVEL PROCESS". Page/Page column 24-25. . Retrieved 2010/11/27.