1'-(Tert-butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid

Base Information

• Chemical Name: 1'-(Tert-butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid
• CAS No.: 185526-32-3
• Molecular Formula: C19H25NO4
• Molecular Weight: 331.40600
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30594129
• Mol file: 185526-32-3.mol

Synonyms:185526-32-3;1'-(tert-butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid;4'-N-Boc-Spiro-indane-piperidine-3-carboxylic acid;1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylic acid;1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro-[indene-1,4'-piperidine]-3-carboxylic acid;CLQYVKLGGAFNEB-UHFFFAOYSA-N;4'-N-Boc-Spiro-indane-piperidine-3-carboxylicacid;SCHEMBL1222691;DTXSID30594129;MFCD08461259;1'-BOC-2,3-DIHYDROSPIRO[INDENE-1,4'-PIPERIDINE]-3-CARBOXYLIC ACID;AKOS015950468;MB06310;AM803411;AS-68478;CS-0037597;A849055;W-206334;1'-(t-Butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid;1'-[(tert-butoxy)carbonyl]-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid;1'-Boc-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid, AldrichCPR;2,3-dihydro-spiro[1h-indene-1,4'-piperidine]-1',3-dicarboxylic acid tert-butyl ester;1'-[(1,1-Dimethylethoxy)carbonyl]-2,3-dihydrospiro(1H-indene-1,4'-piperidine]-3-carboxylic Acid

Chemical Property of 1'-(Tert-butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid

Chemical Property:

• Boiling Point: 495.9oC at 760 mmHg
• Flash Point: 253.7oC
• PSA: 66.84000
• Density: 1.22g/cm3
• LogP: 3.46510
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 331.17835828
• Heavy Atom Count: 24
• Complexity: 502

Purity/Quality:

97% ^*data from raw suppliers

1'-(tert-Butoxycarbonyl)-2,3-dihydrospiro-[indene-1,4'-piperidine]-3-carboxylic acid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)N1CCC2(CC1)CC(C3=CC=CC=C23)C(=O)O

Technology Process of 1'-(Tert-butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid

There total 2 articles about 1'-(Tert-butoxycarbonyl)-2,3-dihydrospiro[indene-1,4'-piperidine]-3-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:

carbon monoxide (201230-82-2) + tert-butyl 3-(trifluoromethylsulfonyloxy)spiro[indene-1,4'-piperidine]-1-carboxylate (185526-14-1) → 1'-[(1,1-Dimethylethoxy)carbonyl]-2,3-dihydrospiro(1H-indene-1,4'-piperidine]-3-carboxylic Acid (185526-32-3)

Guidance literature:

Multistep reaction;

DOI:10.1016/S0960-894X(97)00421-6

Reference yield:

→ 1'-[(1,1-Dimethylethoxy)carbonyl]-2,3-dihydrospiro(1H-indene-1,4'-piperidine]-3-carboxylic Acid (185526-32-3)

Guidance literature:

Reference yield:

1'-[(1,1-Dimethylethoxy)carbonyl]-2,3-dihydrospiro(1H-indene-1,4'-piperidine]-3-carboxylic Acid (185526-32-3) → C30H36N2O5

Guidance literature:

Multi-step reaction with 2 steps

2: BuLi, Et₃N, ethylchloroformate / tetrahydrofuran

With n-butyllithium; chloroformic acid ethyl ester; triethylamine; In tetrahydrofuran;

DOI:10.1016/S0960-894X(97)00421-6

upstream raw materials:

carbon monoxide

tert-butyl 3-(trifluoromethylsulfonyloxy)spiro[indene-1,4'-piperidine]-1-carboxylate

Downstream raw materials:

1'-[(1,1-dimethylethoxy)carbonyl]-2,3-dihydrospiro[1H-indene-1,4'-piperidine]-3-acetic acid