1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one

Base Information

Chemical Name:1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
CAS No.:37663-42-6
Molecular Formula:C19H19NO2
Molecular Weight:293.365
Hs Code.:2934999090
DSSTox Substance ID:DTXSID40437639
Nikkaji Number:J1.718.717A
Wikidata:Q82253179
Pharos Ligand ID:72HK3DY8MJXV
ChEMBL ID:CHEMBL343793
Mol file:37663-42-6.mol

Synonyms:37663-42-6;1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one;1'-BENZYL-3H-SPIRO[2-BENZOFURAN-1,4'-PIPERIDIN]-3-ONE;1'-benzylspiro[2-benzofuran-3,4'-piperidine]-1-one;CHEMBL343793;1'-Benzylspiro[isobenzofuran-1(3H),4'-piperidine]-3-one;SCHEMBL747866;DTXSID40437639;RZXNEAPKBXXMQP-UHFFFAOYSA-N;BDBM50108658;MFCD08909181;SB36915;AS-69357;CS-0060532;W17349;1'-benzyl-3H-spiro[2-benzofuran-1,4'-piperidine]-3-one;1-BENZYL-3H-SPIRO[2-BENZOFURAN-1,4-PIPERIDIN]-3-ONE;1'-(phenylmethyl)-spiro[isobenzofuran-1(3H),4'-piperidin]-3-one;1'-benzyl-1,3-dihydrospiro[isobenzofuran-1,4'-piperidine]-3-one;1''-benzylspiro[1,3-dihydroisobenzofuran-1,4''-(hexahydropyridine)]-3-one

Suppliers and Price of 1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

J&W Pharmlab
1''-Benzyl-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one 98%
1g
$ 298.00

J&W Pharmlab
1''-Benzyl-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one 98%
5g
$ 1192.00

Crysdot
1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one 95+%
1g
$ 450.00

Chemenu
1''-Benzyl-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one 95%
1g
$ 421.00

Alichem
1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
1g
$ 441.00

AK Scientific
1'-Benzyl-3H-spiro[2-benzofuran-1,4'-piperidin]-3-one
250mg
$ 388.40

Total 7 raw suppliers

Chemical Property of 1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one

Chemical Property:

PSA：29.54000
LogP:3.28620
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:293.141578849
Heavy Atom Count:22
Complexity:408

Purity/Quality:

97% ^*data from raw suppliers

1''-Benzyl-3H-spiro[isobenzofuran-1,4''-piperidin]-3-one 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCC12C3=CC=CC=C3C(=O)O2)CC4=CC=CC=C4

Technology Process of 1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one

There total 9 articles about 1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one 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: 88.0%

: 93-98-1,5705-51-1
N-phenyl benzoyl amide

: 3612-20-2
1-phenylmethyl-4-piperidone

: 37663-42-6
1'-benzylspiro[isobenzofuran-1(3H),4'-piperidine]-3-one

Guidance literature:: N-phenyl benzoyl amide; With n-butyllithium; In tetrahydrofuran; at -78 - 0 ℃; Inert atmosphere;

1-phenylmethyl-4-piperidone; In tetrahydrofuran; at 0 - 20 ℃; Inert atmosphere;

With hydrogenchloride; In tetrahydrofuran; water;
DOI:10.1016/j.bmc.2009.05.068

Reference yield: 67.0%

: 3612-20-2
1-phenylmethyl-4-piperidone

: 610-97-9
o-iodo-methyl-benzoic acid

: 93-58-3,5705-52-2,80226-58-0
benzoic acid methyl ester

: 37663-42-6
1'-benzylspiro[isobenzofuran-1(3H),4'-piperidine]-3-one

Guidance literature:: o-iodo-methyl-benzoic acid; With TurboGrignard; In tetrahydrofuran; at -70 - -50 ℃; for 0.5h;

1-phenylmethyl-4-piperidone; In tetrahydrofuran; at 20 ℃;
DOI:10.1016/j.tet.2013.02.051

Reference yield: 58.0%

: 398476-51-2
C₁₉H₂₁NO₂

: 37663-42-6
1'-benzylspiro[isobenzofuran-1(3H),4'-piperidine]-3-one

Guidance literature:: With tetrapropylammonium perruthennate; 4 A molecular sieve; 4-methylmorpholine N-oxide; In dichloromethane; at 20 ℃; for 1.5h;
DOI:10.1021/jm010992z