5'-bromospiro[cyclopentane-1,3'-indol]-2'(1'H)-one

Base Information

Chemical Name:5'-bromospiro[cyclopentane-1,3'-indol]-2'(1'H)-one
CAS No.:304876-16-2
Molecular Formula:C12H12BrNO
Molecular Weight:266.137
Hs Code.:2933990090
European Community (EC) Number:841-801-2
ChEMBL ID:CHEMBL4919609
Mol file:304876-16-2.mol

Synonyms:304876-16-2;5'-bromospiro[cyclopentane-1,3'-indol]-2'(1'H)-one;5'-Bromospiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one;5'-Bromospiro[cyclopentane-1,3'-indolin]-2'-one;Spiro[cyclopentane-1,3'-[3h]indol]-2'(1'h)-one,5'-bromo-;5-bromospiro[1H-indole-3,1'-cyclopentane]-2-one;SCHEMBL1223242;CHEMBL4919609;DSJAYULUMZHCII-UHFFFAOYSA-N;5'-bromo-1',2'-dihydrospiro[cyclopentane-1,3'-indole]-2'-one;5`-BROMO-SPIRO[CYCLOPENTANE-1,3`-[3H]INDOL]-2`(1`H)-ONE;MFCD13192266;AKOS022179329;CCG-319483;SB65774;SY191157;CS-0107256;EN300-79336;D76719;Z1210584856;5'-bromospiro[cylopentane-1,3'-[3H]indol]-2'(1'H)-one;5'-bromospiro[cyclopentane-1,3'-[3H] indol]-2'(1'H)-one;5 inverted exclamation mark -Bromospiro[cyclopentane-1,3 inverted exclamation mark -indolin]-2 inverted exclamation mark -one

Suppliers and Price of 5'-bromospiro[cyclopentane-1,3'-indol]-2'(1'H)-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

AK Scientific
5'-Bromo-Spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one
10g
$ 3032.00

AK Scientific
5'-Bromo-Spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one
1g
$ 805.00

Activate Scientific
5`-Bromo-Spiro[cyclopentane-1,3`-[3H]indol]-2`(1`H)-one 95+%
1 g
$ 404.00

Total 7 raw suppliers

Chemical Property of 5'-bromospiro[cyclopentane-1,3'-indol]-2'(1'H)-one

Chemical Property:

Boiling Point:415.8±45.0 °C(Predicted)
PKA:13.05±0.20(Predicted)
Flash Point:205.242oC
PSA：29.10000
Density:1.57±0.1 g/cm3(Predicted)
LogP:3.35100
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:265.01023
Heavy Atom Count:15
Complexity:285

Purity/Quality:

98%min ^*data from raw suppliers

5'-Bromo-Spiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC2(C1)C3=C(C=CC(=C3)Br)NC2=O

Technology Process of 5'-bromospiro[cyclopentane-1,3'-indol]-2'(1'H)-one

There total 3 articles about 5'-bromospiro[cyclopentane-1,3'-indol]-2'(1'H)-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: 96.0%

: 41058-67-7
spiro[cyclopentane-1,3'-indol]-2'(1'H)-one

: 304876-16-2
5-bromospiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one

Guidance literature:: With bromine; sodium acetate; acetic acid;
DOI:10.1021/jm701080t

Reference yield: 70.0%

: 110-52-1
1,4-dibromo-butane

: 20870-78-4
5-bromo-2-indolin-2-one

: 304876-16-2
5-bromospiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one

Guidance literature:: 5-bromo-2-indolin-2-one; With potassium tert-butylate; In tetrahydrofuran; at -15 ℃; for 0.166667h; Inert atmosphere;

1,4-dibromo-butane; In tetrahydrofuran; at -10 - 0 ℃; for 1.25h; Inert atmosphere;

Reference yield:

: 59-48-3
2-oxoindole

: 304876-16-2
5-bromospiro[cyclopentane-1,3'-[3H]indol]-2'(1'H)-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: n-BuLi; TMEDA / tetrahydrofuran / -78 °C

1.2: tetrahydrofuran

2.1: Br₂; NaOAc; AcOH / 20 °C

With n-butyllithium; N,N,N,N,-tetramethylethylenediamine; bromine; sodium acetate; acetic acid; In tetrahydrofuran;
DOI:10.1016/S0960-894X(02)00746-1