5-tert-Butyl-1,3-benzodioxole

Base Information

Chemical Name:5-tert-Butyl-1,3-benzodioxole
CAS No.:7228-36-6
Molecular Formula:C11H14 O2
Molecular Weight:178.231
Hs Code.:
DSSTox Substance ID:DTXSID60222605
Nikkaji Number:J102.626G
Wikidata:Q83100893
Mol file:7228-36-6.mol

Synonyms:5-TBBD;5-tert-butyl-1,3-benzodioxole

Suppliers and Price of 5-tert-Butyl-1,3-benzodioxole

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

Total 4 raw suppliers

Chemical Property of 5-tert-Butyl-1,3-benzodioxole

Chemical Property:

Vapor Pressure:0.00076mmHg at 25°C
Boiling Point:306.7°C at 760 mmHg
Flash Point:156.5°C
PSA：18.46000
Density:1.047 g/mL at 25 °C(lit.)
LogP:2.71280
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:178.099379685
Heavy Atom Count:13
Complexity:183

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC2=C(C=C1)OCO2

Technology Process of 5-tert-Butyl-1,3-benzodioxole

There total 3 articles about 5-tert-Butyl-1,3-benzodioxole 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: 73.0%

: 2635-13-4
1,2-(methylenedioxy)-4-bromobenzene

: 677-22-5
tert-butylmagnesium chloride

: 274-09-9
Methylenedioxybenzene

: 7228-36-6
5-(tert-butyl)benzo[d][1,3]dioxole

Guidance literature:: With 1.54H₂O*Cl₂Ni; 1,3-bis(cyclohexyl)imidazolium tetrafluoroborate; In tetrahydrofuran; at -10 ℃; for 1.5h; Inert atmosphere;
DOI:10.1021/ja202769t

Reference yield: 45.0%

: 75-11-6
diiodomethane

: 98-29-3
4-tert-Butylcatechol

: 7228-36-6
5-(tert-butyl)benzo[d][1,3]dioxole

Guidance literature:: 4-tert-Butylcatechol; With sodium hydroxide; In dimethyl sulfoxide; at 90 ℃; for 1h;

diiodomethane; In dimethyl sulfoxide; at 90 ℃; for 2h;