(2S)-3-Phenylpropane-1,2-diamine

Base Information

• Chemical Name: (2S)-3-Phenylpropane-1,2-diamine
• CAS No.: 85612-60-8
• Molecular Formula: C9H14 N2
• Molecular Weight: 150.224
• Hs Code.: 2921590090
• DSSTox Substance ID: DTXSID40507321
• Nikkaji Number: J2.000.092I
• Wikidata: Q82363489
• Mol file: 85612-60-8.mol

Synonyms:85612-60-8;(2S)-3-PHENYL-1,2-PROPANEDIAMINE;(2S)-3-PHENYLPROPANE-1,2-DIAMINE;1,2-Propanediamine,3-phenyl-, (2S)-;(S)-3-phenylpropane-1,2-diamine;(S)-1-benzyl-1,2-ethanediamine;SCHEMBL243771;DTXSID40507321;(S)-2-amino-3-phenylpropylamine;CXFFQOZYXJHZNJ-VIFPVBQESA-N;(S)-1,2-diamino-3-phenylpropane;1,2-(s)-diamino-3-phenylpropane;3-phenyl-propane-1,2(S)-diamine;(S)-3-phenyl-propane-1,2-diamine;3-phenyl-propane-1,2 (S)-diamine;AKOS030240887;N14383;EN300-2123157

Chemical Property of (2S)-3-Phenylpropane-1,2-diamine

Chemical Property:

• PSA: 52.04000
• LogP: 1.91570
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• XLogP3: 0.5
• 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:

99% ^*data from raw suppliers

(2S)-3-Phenyl-1,2-propanediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(CN)N
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](CN)N

Technology Process of (2S)-3-Phenylpropane-1,2-diamine

There total 22 articles about (2S)-3-Phenylpropane-1,2-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: 97.0%

L-Phenylalanine amide (5241-58-7) → (2S)-3-phenylpropane-1,2-diamine (85612-60-8)

Guidance literature:

L-Phenylalanine amide; With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 2h; Heating / reflux;

With sodium sulfate; In tetrahydrofuran;

Reference yield: 90.0%

N2-benzyloxycarbonyl-3-phenyl-1,2-propanediamine (167298-42-2) → (2S)-3-phenylpropane-1,2-diamine (85612-60-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 4h;

Reference yield: 87.0%

1-azido-2-benzyloxycarbonylamino-3-phenylpropane (146552-67-2) → (2S)-3-phenylpropane-1,2-diamine (85612-60-8)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; for 4h;

upstream raw materials:

L-Phenylalanine amide

1-azido-2-benzyloxycarbonylamino-3-phenylpropane

N²-benzyloxycarbonyl-3-phenyl-1,2-propanediamine

(S)-(+)-2-benzyl-1-(p-tolylsulfonyl)aziridine

Downstream raw materials:

2-(2-(S)-amino-3-phenyl-propylamino)-3-methyl-5-nitro-6-pyridin-4-yl-3H-pyrimidin-4-one

2-(((S)-2-amino-3-phenylpropyl)-amino)-3-methyl-5-(3-methylphenyl)-6-(4-pyridyl)-4(3 H)-pyrimidinone hydrochloride

(S)-N₁-(7-bromo-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine

(S)-N₁-(2-pyridin-4-yl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)butane-1,2-diamine