2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid

Base Information

• Chemical Name: 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
• CAS No.: 16655-90-6
• Molecular Formula: C11H13NO2
• Molecular Weight: 191.22600
• Hs Code.: 2922499990
• European Community (EC) Number: 605-448-6
• DSSTox Substance ID: DTXSID90937215
• Nikkaji Number: J2.501.263A
• Mol file: 16655-90-6.mol

Synonyms:2-(indanyl)glycine

Chemical Property of 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid

Chemical Property:

• Boiling Point: 372.9±25.0 °C(Predicted)
• PKA: 2.34±0.10(Predicted)
• PSA: 63.32000
• Density: 1.254±0.06 g/cm3(Predicted)
• LogP: 1.51360
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 191.094628657
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Amino-2-(2,3-dihydro-1H-inden-2-yl)aceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CC2=CC=CC=C21)C(C(=O)O)N

Technology Process of 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid

There total 3 articles about 2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic 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: 86.0%

tert-butyl N-(diphenylmethylene)-2-(2-indanyl)glycinate (870151-48-7) → amino(2,3-dihydro-1H-inden-2-yl)ethanoic acid (16655-90-6,155239-51-3,16655-71-3)

Guidance literature:

With trifluoroacetic acid; at 20 ℃;

DOI:10.1021/jm050557v

Reference yield:

methyl 2-(2-indanyl)glycinate hydrochloride (155172-72-8) → amino(2,3-dihydro-1H-inden-2-yl)ethanoic acid (16655-90-6,155239-51-3,16655-71-3)

Guidance literature:

With lithium hydroxide; In acetonitrile; for 2h; Ambient temperature;

DOI:10.1021/jm00037a009

Reference yield:

2-iodoindane (24329-96-2) → amino(2,3-dihydro-1H-inden-2-yl)ethanoic acid (16655-90-6,155239-51-3,16655-71-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: LDA / tetrahydrofuran; hexane / 1.5 h / -70 - 10 °C

1.2: 33 percent / tetrahydrofuran; hexane / 20 °C

2.1: 86 percent / aq. TFA / 20 °C

With trifluoroacetic acid; lithium diisopropyl amide; In tetrahydrofuran; hexane;

DOI:10.1021/jm050557v

upstream raw materials:

methyl 2-(2-indanyl)glycinate hydrochloride

tert-butyl N-(diphenylmethylene)-2-(2-indanyl)glycinate

2-iodoindane

Downstream raw materials:

(2R)-[(t-butoxycarbonyl)amino](2,3-dihydro-1H-inden-2-yl)ethanoic acid

(R)-2-((3R,6R)-3-Indan-2-yl-6-isobutyl-2,5-dioxo-piperazin-1-yl)-N-isopropyl-2-phenyl-acetamide

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