4-(Phenylmethyl)benzeneethanamine

Base Information

• Chemical Name: 4-(Phenylmethyl)benzeneethanamine
• CAS No.: 108714-30-3
• Molecular Formula: C₁₅H₁₇N
• Molecular Weight: 211.307
• DSSTox Substance ID: DTXSID30559495
• Wikidata: Q82442240
• Mol file: 108714-30-3.mol

Synonyms:108714-30-3;4-(Phenylmethyl)benzeneethanamine;SCHEMBL2459459;DTXSID30559495;XHDHLKZCOPJXJZ-UHFFFAOYSA-N;2-(4-Benzylphenyl)ethan-1-amine

Chemical Property of 4-(Phenylmethyl)benzeneethanamine

Chemical Property:

• PSA: 26.02000
• LogP: 3.47890
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 211.136099547
• Heavy Atom Count: 16
• Complexity: 176

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)CCN

Technology Process of 4-(Phenylmethyl)benzeneethanamine

There total 5 articles about 4-(Phenylmethyl)benzeneethanamine 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:

N-(4-benzoylphenethyl)acetamide (16362-97-3) → 4-benzyl-phenethylamine (108714-30-3)

Guidance literature:

With sodium; hydrazine hydrate; ethylene glycol;

DOI:10.1021/ja01651a008

Reference yield:

4-benzyl-phenethyl bromide (121805-26-3) → 4-benzyl-phenethylamine (108714-30-3)

Guidance literature:

With ethanol; ammonia;

DOI:10.1021/jo01225a001

Reference yield:

(4-bromophenyl)(phenyl)methanone (90-90-4) → 4-benzyl-phenethylamine (108714-30-3)

Guidance literature:

Multi-step reaction with 4 steps

1: concentrated aqueous HI; red phosphorus / 160 °C

2: magnesium; diethyl ether / anschliessendes Behandeln mit Aethylenoxyd in Benzol, anfangs unter Kuehlung, zuletzt bei 60grad

3: benzene; PBr₃

4: ethanol; ammonia

With phosphorus; diethyl ether; ethanol; ammonia; hydrogen iodide; phosphorus tribromide; magnesium; benzene;

DOI:10.1021/jo01225a001

upstream raw materials:

N-(4-benzoylphenethyl)acetamide

4-benzyl-phenethyl bromide

(4-bromophenyl)(phenyl)methanone

1-benzyl-4-bromo-benzene

Downstream raw materials:

(4-benzyl-phenethyl)-dimethyl-amine