6-Bromo-1,3-benzodioxole-5-carbonitrile

Base Information

Chemical Name:6-Bromo-1,3-benzodioxole-5-carbonitrile
CAS No.:6120-26-9
Molecular Formula:C8H4BrNO2
Molecular Weight:226.03
Hs Code.:2932999099
DSSTox Substance ID:DTXSID20377428
Nikkaji Number:J2.920.135H
Wikidata:Q82166634
Mol file:6120-26-9.mol

Synonyms:6-bromo-1,3-benzodioxole-5-carbonitrile;6120-26-9;6-BROMOBENZO[D][1,3]DIOXOLE-5-CARBONITRILE;6-bromo-2H-1,3-benzodioxole-5-carbonitrile;6-bromobenzo[1,3]dioxole-5-carbonitrile;SCHEMBL3739271;DTXSID20377428;YJAZLOORQHTWFN-UHFFFAOYSA-N;MFCD02571372;AKOS005071361;MB02421;CS-0319722;FT-0680658;6-Bromo-1,3-benzodioxole-5-carbonitrile, 97%;8R-0201;A868785;J-518420

Suppliers and Price of 6-Bromo-1,3-benzodioxole-5-carbonitrile

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

TRC
6-Bromo-1,3-benzodioxole-5-carbonitrile
10mg
$ 60.00

TRC
6-Bromo-1,3-benzodioxole-5-carbonitrile
5mg
$ 45.00

Sigma-Aldrich
6-Bromo-1,3-benzodioxole-5-carbonitrile 97%
5g
$ 462.00

Sigma-Aldrich
6-Bromo-1,3-benzodioxole-5-carbonitrile 97%
1g
$ 97.20

Matrix Scientific
6-Bromo-1,3-benzodioxole-5-carbonitrile >95%
5g
$ 1300.00

Matrix Scientific
6-Bromo-1,3-benzodioxole-5-carbonitrile >95%
500mg
$ 362.00

Matrix Scientific
6-Bromo-1,3-benzodioxole-5-carbonitrile >95%
1g
$ 454.00

Crysdot
6-Bromobenzo[d][1,3]dioxole-5-carbonitrile 95+%
1g
$ 450.00

Chemenu
6-Bromobenzo[d][1,3]dioxole-5-carbonitrile 95%
1g
$ 424.00

American Custom Chemicals Corporation
6-BROMO-1,3-BENZODIOXOLE-5-CARBONITRILE 95.00%
1G
$ 866.13

Total 14 raw suppliers

Chemical Property of 6-Bromo-1,3-benzodioxole-5-carbonitrile

Chemical Property:

Vapor Pressure:0.00025mmHg at 25°C
Melting Point:104-106oC
Boiling Point:324.1°C at 760 mmHg
Flash Point:149.8°C
PSA：42.25000
Density:1.84g/cm³
LogP:2.04948
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:224.94254
Heavy Atom Count:12
Complexity:224

Purity/Quality:

97% ^*data from raw suppliers

6-Bromo-1,3-benzodioxole-5-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C(=C2)C#N)Br

Technology Process of 6-Bromo-1,3-benzodioxole-5-carbonitrile

There total 1 articles about 6-Bromo-1,3-benzodioxole-5-carbonitrile 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: 80.0%

: 1428637-07-3
C₁₀H₁₂ClNO₃

: 1428637-20-0
C₉H₈BrNO₃

: 6120-26-9
6-bromobenzo[d][1,3]dioxole-5-carbonitrile

: 248595-18-8
2-chloro-3,4-dimethoxybenzonitrile

Guidance literature:: With [Ru(η⁶-p-cymene)Cl₂]₂; diphenyl acetylene; In isopropyl alcohol; at 100 ℃; for 16h; regioselective reaction; Inert atmosphere;
DOI:10.1039/c3cc41124a

Reference yield:

: 6120-26-9
6-bromobenzo[d][1,3]dioxole-5-carbonitrile

: 1448644-06-1
2-(3,4,5-trimethoxyphenyl)-1,3,2-dioxaborinane

: 1433967-12-4
6-(3,4,5-trimethoxyphenyl)benzo[d][1,3]dioxole-5-carbonitrile

Guidance literature:: With tripotassium phosphate "n" hydrate; Pd(PPh₃)₂Cl₂; In toluene; at 100 ℃; for 12h; Inert atmosphere; Schlenk technique;
DOI:10.1021/ol401063w

Reference yield:

: 6120-26-9
6-bromobenzo[d][1,3]dioxole-5-carbonitrile

: C₂₇H₂₉NO₃Si

Guidance literature:: Multi-step reaction with 2 steps

1: palladium diacetate; dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate / tetrahydrofuran / 24 h / 100 °C / Inert atmosphere; Sealed tube

2: triethylamine; dmap / dichloromethane / 2 h / 0 - 20 °C / Inert atmosphere

With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; dmap; potassium phosphate; palladium diacetate; triethylamine; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jacs.1c12311