1-Phenylpropane-1,3-diamine

Base Information

• Chemical Name: 1-Phenylpropane-1,3-diamine
• CAS No.: 4888-74-8
• Molecular Formula: C9H14N2
• Molecular Weight: 150.224
• DSSTox Substance ID: DTXSID80515945
• Mol file: 4888-74-8.mol

Synonyms:1-phenylpropane-1,3-diamine;4888-74-8;1-phenyl-1,3-propanediamine;1-Phenyl-1.3-propanediamine;SCHEMBL4672036;DTXSID80515945;PLDPCRJUQLPMNU-UHFFFAOYSA-N;(3-amino-1-phenyl-propyl)-amine;FT-0746142;EN300-133488

Chemical Property of 1-Phenylpropane-1,3-diamine

Chemical Property:

• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 150.115698455
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCN)N

Technology Process of 1-Phenylpropane-1,3-diamine

There total 7 articles about 1-Phenylpropane-1,3-diamine 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: 84.0%

3-phenyl-1,2,6-thiadiazinane 1,1-dioxide → 1-phenyl-1,3-propanediamine (4888-74-8)

Guidance literature:

With Trimethylenediamine; for 5h; Reflux; Inert atmosphere;

DOI:10.1039/c9cc06410a

Reference yield:

3-amino-3-phenylpropanamide (46050-30-0) → 1-phenyl-1,3-propanediamine (4888-74-8)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1246/bcsj.55.1454

Reference yield:

2-Phenyl-pentanedioic acid diamide (74298-71-8) → 1-phenyl-1,3-propanediamine (4888-74-8)

Guidance literature:

With sodium hydroxide; bromine; 1.) 20 deg C, 1 h, 2.) 70 deg C, 30 min;

DOI:10.1021/jm00383a002

upstream raw materials:

5-phenyl-4,5-dihydro-1H-pyrazole

N,N'-Bis-ethoxycarbonyl-1-phenyl-propan-1,3-diamin

3-amino-3-phenylpropanamide

2-Phenyl-pentanedioic acid diamide

Downstream raw materials:

1-(4-bromobenzyl)-5-phenyl-4,5-dihydro-1H-pyrazole

1-(4-bromobenzyl)-3-phenyl-4,5-dihydro-1H-pyrazole

6-(4-bromophenyl)-2-phenyl-1,5-diazabicyclo[3.1.0]hexane

2-(4-bromophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidine