1-((tert-Butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid

Base Information

• Chemical Name: 1-((tert-Butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid
• CAS No.: 214139-26-1
• Molecular Formula: C₁₅H₁₉NO₄
• Molecular Weight: 277.32
• Hs Code.: 29225090
• DSSTox Substance ID: DTXSID60369786
• Mol file: 214139-26-1.mol

Synonyms:214139-26-1;1-((tert-Butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid;1-(BOC-AMINO)-1-INDANECARBOXYLIC ACID;1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic Acid;(R,S)-BOC-1-AMINOINDANE-1-CARBOXYLIC ACID;N-BOC-D,L-1-AMINOINDANE-1-CARBOXYLIC ACID;boc-1-aminoindane-1-carboxylic acid;MFCD00800596;1-{[(tert-butoxy)carbonyl]amino}-2,3-dihydro-1H-indene-1-carboxylic acid;1-(Boc-amino)-1-indanecarboxylicAcid;1-[(tert-Butoxycarbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid;SCHEMBL306307;DTXSID60369786;UZCCJRDJRMVGLU-UHFFFAOYSA-N;Boc-1-aminoindan-1-carboxylic acid;AKOS013464350;AB07293;AS-40789;SY015593;CS-0146922;FT-0722904;EN300-316658;A879118;1-(tert-butoxycarbonylamino)indane-1-carboxylic acid;(R,S)-Boc-1-aminoindane-1-carboxylic acid, AldrichCPR;1-[(tert-butyloxycarbonyl)amino]-1-indancarboxylic acid;1-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-2,3-dihydro-1H-indene-1-carboxylic acid

Chemical Property of 1-((tert-Butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid

Chemical Property:

• Vapor Pressure: 6.56E-09mmHg at 25°C
• Melting Point: 156-159 °C
• Refractive Index: 1.5080 (estimate)
• Boiling Point: 450.7°Cat760mmHg
• Flash Point: 226.4°C
• PSA: 75.63000
• Density: g/cm³
• LogP: 2.82830
• Storage Temp.: 0-6°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 277.13140809
• Heavy Atom Count: 20
• Complexity: 401

Purity/Quality:

97% ^*data from raw suppliers

N-Boc-DL-1-Aminoindane-1-carboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N
• Hazard Codes: N
• Statements: 50
• Safety Statements: 24/25-61

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1(CCC2=CC=CC=C21)C(=O)O
• Uses: N-Boc-DL-1-Aminoindane-1-carboxylic Acid is an intermediate used to prepare N-[(chlorophenyl)methyl]oxo[[[(phenylacetyl)amino]methyl]cyclohexyl]piperazinyl]ethyl amide derivatives as human melanocortin-4 receptor ligands.

Technology Process of 1-((tert-Butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid

There total 3 articles about 1-((tert-Butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic 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: 100.0%

benzyl 4-(((1-((tert-butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carbonyl)oxy)methyl)piperidine-1-carboxylate → 1-((tert-butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid (214139-26-1)

Guidance literature:

With water; sodium hydroxide; In tetrahydrofuran; methanol; at 20 ℃; for 1h;

Reference yield: 70.0%

di-tert-butyl dicarbonate (24424-99-5) + 1-amino-2,3-dihydro-1H-indene-1-carboxylic acid (3927-71-7) → 1-((tert-butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid (214139-26-1)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; at 20 ℃; for 15h;

DOI:10.1007/s11164-013-1488-2

Reference yield:

spiro[imidazolidine-4,1'-indan]-2,5-dione (6252-98-8) → 1-((tert-butoxycarbonyl)amino)-2,3-dihydro-1H-indene-1-carboxylic acid (214139-26-1)

Guidance literature:

Multi-step reaction with 2 steps

1: barium(II) hydroxide / water / 72 h / Reflux

2: sodium hydroxide / tetrahydrofuran / 15 h / 20 °C

With sodium hydroxide; barium(II) hydroxide; In tetrahydrofuran; water;

DOI:10.1007/s11164-013-1488-2

upstream raw materials:

spiro[imidazolidine-4,1'-indan]-2,5-dione

di-tert-butyl dicarbonate

1-amino-2,3-dihydro-1H-indene-1-carboxylic acid

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