3-(6-Bromo-benzo[1,3]dioxol-5-YL)-propionaldehyde

Base Information

Chemical Name:3-(6-Bromo-benzo[1,3]dioxol-5-YL)-propionaldehyde
CAS No.:57961-87-2
Molecular Formula:C10H9BrO3
Molecular Weight:257.08066
Hs Code.:
DSSTox Substance ID:DTXSID50698855
Nikkaji Number:J3.182.712D
Wikidata:Q82629377
Mol file:57961-87-2.mol

Synonyms:57961-87-2;3-(6-BROMO-BENZO[1,3]DIOXOL-5-YL)-PROPIONALDEHYDE;SCHEMBL6239134;DTXSID50698855;6-Bromo-1,3-benzodioxole-5-propanal;3-(6-bromo-1,3-dioxaindan-5-yl)propanal;3-(6-Bromo-2H-1,3-benzodioxol-5-yl)propanal;EN300-1997101

Suppliers and Price of 3-(6-Bromo-benzo[1,3]dioxol-5-YL)-propionaldehyde

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

American Custom Chemicals Corporation
3-(6-BROMO-BENZO[1,3]DIOXOL-5-YL)-PROPIONALDEHYDE 95.00%
5MG
$ 498.63

Total 5 raw suppliers

Chemical Property of 3-(6-Bromo-benzo[1,3]dioxol-5-YL)-propionaldehyde

Chemical Property:

PSA：35.53000
LogP:2.30930
XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:255.97351
Heavy Atom Count:14
Complexity:210

Purity/Quality:

99% ^*data from raw suppliers

3-(6-BROMO-BENZO[1,3]DIOXOL-5-YL)-PROPIONALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1OC2=C(O1)C=C(C(=C2)CCC=O)Br

Technology Process of 3-(6-Bromo-benzo[1,3]dioxol-5-YL)-propionaldehyde

There total 8 articles about 3-(6-Bromo-benzo[1,3]dioxol-5-YL)-propionaldehyde 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: 90.0%

: 942042-04-8
3-[6-bromo-3,4-(methylenedioxy)phenyl]-1-propanol

: 57961-87-2
3-(6-bromo-1,3-benzodioxol-5-yl)propanal

Guidance literature:: 3-[6-bromo-3,4-(methylenedioxy)phenyl]-1-propanol; With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -78 ℃; for 4h;

With triethylamine; In dichloromethane; at -78 ℃; for 0.25h;
DOI:10.1055/s-0033-1338414

Reference yield:

: 57906-98-6
2-acetoxy-3-(3,4-methylenedioxyphenyl)propanoic acid

: 57961-87-2
3-(6-bromo-1,3-benzodioxol-5-yl)propanal

Guidance literature:: Multi-step reaction with 3 steps

1.1: bromine / dichloromethane / 0 °C

2.1: lithium aluminium tetrahydride / tetrahydrofuran / 0 °C / Inert atmosphere

3.1: dimethyl sulfoxide; oxalyl dichloride / dichloromethane / 4 h / -78 °C

3.2: 0.25 h / -78 °C

With lithium aluminium tetrahydride; oxalyl dichloride; bromine; dimethyl sulfoxide; In tetrahydrofuran; dichloromethane; 3.1: |Swern Oxidation / 3.2: |Swern Oxidation;
DOI:10.1055/s-0033-1338414

Reference yield:

: 103849-00-9
methyl 3-(6-bromo-1,3-benzodioxol-5-yl)propanoate

: 57961-87-2
3-(6-bromo-1,3-benzodioxol-5-yl)propanal

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium aluminium tetrahydride / tetrahydrofuran / 0 °C / Inert atmosphere

2.1: dimethyl sulfoxide; oxalyl dichloride / dichloromethane / 4 h / -78 °C

2.2: 0.25 h / -78 °C

With lithium aluminium tetrahydride; oxalyl dichloride; dimethyl sulfoxide; In tetrahydrofuran; dichloromethane; 2.1: |Swern Oxidation / 2.2: |Swern Oxidation;
DOI:10.1055/s-0033-1338414