(2-Amino-2,3-Dihydro-1h-Inden-2-Yl)phosphonic Acid

Base Information

• Chemical Name: (2-Amino-2,3-Dihydro-1h-Inden-2-Yl)phosphonic Acid
• CAS No.: 141120-17-4
• Molecular Formula: C9H12NO3P
• Molecular Weight: 213.173
• Hs Code.: 2931900090
• European Community (EC) Number: 872-633-8
• DSSTox Substance ID: DTXSID20566537
• Nikkaji Number: J708.769A
• Wikidata: Q27464480
• Mol file: 141120-17-4.mol

Synonyms:2-aminoindan-2-phosphonic acid

Chemical Property of (2-Amino-2,3-Dihydro-1h-Inden-2-Yl)phosphonic Acid

Chemical Property:

• Boiling Point: 443.5±55.0 °C(Predicted)
• PKA: 1.03±0.20(Predicted)
• PSA: 93.36000
• Density: 1.46
• LogP: 1.31820
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 213.05548024
• Heavy Atom Count: 14
• Complexity: 261

Purity/Quality:

97% ^*data from raw suppliers

(2-Amino-2,3-dihydro-1H-inden-2-yl)phosphonic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=CC=CC=C2CC1(N)P(=O)(O)O
• Uses: (2-Amino-2,3-dihydro-1H-inden-2-yl)-phosphonic Acid Hydrochloride is a potent phenylalanine ammonia-?lyase (PAL) inhibitor.

Technology Process of (2-Amino-2,3-Dihydro-1h-Inden-2-Yl)phosphonic Acid

There total 4 articles about (2-Amino-2,3-Dihydro-1h-Inden-2-Yl)phosphonic Acid 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:

2-Diethoxyphosphorylindan-2-carboxamide (141120-20-9) → 8-aminobicyclo[4.3.0]nona-1,3,5-triene-8-phosphonic acid (141120-17-4)

Guidance literature:

With hydrogenchloride; sodium hypobromide; Yield given. Multistep reaction; 1) 60 deg C, 0.5 h, 2) reflux, 12 h;

Reference yield:

2-indanone (615-13-4) → 8-aminobicyclo[4.3.0]nona-1,3,5-triene-8-phosphonic acid (141120-17-4)

Guidance literature:

Yield given. Multistep reaction;

Reference yield:

2-phosphono-2,3-dihydro-1H-indene-2-carboxylic acid triethyl ester (141120-18-5) → 8-aminobicyclo[4.3.0]nona-1,3,5-triene-8-phosphonic acid (141120-17-4)

Guidance literature:

Multistep reaction;

DOI:10.1080/10426509608545162

upstream raw materials:

2-Diethoxyphosphorylindan-2-carboxamide

2-indanone

2-phosphono-2,3-dihydro-1H-indene-2-carboxylic acid triethyl ester

α,α'-dibromo-o-xylene

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