1,5a,6,9,9a,9b-Hexahydro-4a(4H)-dibenzofurancarboxaldehyde

Base Information

• Chemical Name: 1,5a,6,9,9a,9b-Hexahydro-4a(4H)-dibenzofurancarboxaldehyde
• CAS No.: 126-15-8
• Molecular Formula: C13H16 O2
• Molecular Weight: 204.269
• Hs Code.: 2932999099
• European Community (EC) Number: 204-773-7
• NSC Number: 52965
• UNII: C62PHK07EV
• DSSTox Substance ID: DTXSID3041320
• Nikkaji Number: J5.380E
• Wikidata: Q27275237
• Mol file: 126-15-8.mol

Synonyms:1,5a,6,9,9a,9b-hexahydro-4a(4H)-dibenzofurancarboxaldehyde;MGK repellent 11

Chemical Property of 1,5a,6,9,9a,9b-Hexahydro-4a(4H)-dibenzofurancarboxaldehyde

Chemical Property:

• Vapor Pressure: 0.000745mmHg at 25°C
• Melting Point: -80℃
• Refractive Index: n20/D 1.520-1.530
• Boiling Point: 307°Cat760mmHg
• Flash Point: 136.2°C
• PSA: 26.30000
• Density: 1.19g/cm³
• LogP: 2.25530
• Storage Temp.: Amber Vial, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 204.115029749
• Heavy Atom Count: 15
• Complexity: 331

Purity/Quality:

98%min ^*data from raw suppliers

MGK11 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Insect Repellents
• Canonical SMILES: C1C=CCC2C1C3CC=CCC3(O2)C=O
• Uses: MGK 11 is an insect repellent most commonly used commercially as a mosquito repellent.

Technology Process of 1,5a,6,9,9a,9b-Hexahydro-4a(4H)-dibenzofurancarboxaldehyde

There total 2 articles about 1,5a,6,9,9a,9b-Hexahydro-4a(4H)-dibenzofurancarboxaldehyde 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:

furfural (98-01-1) + buta-1,3-diene (106-99-0,130983-70-9,29406-96-0,9003-17-2) → 1,5A,6,9,9a,9b-hexahydro-4H-dibenzofuran-4a-carbaldehyde (126-15-8)

Guidance literature:

DOI:10.1021/ie50467a044

Reference yield:

→ 1,5A,6,9,9a,9b-hexahydro-4H-dibenzofuran-4a-carbaldehyde (126-15-8)

Guidance literature:

Reference yield:

methanol (67-56-1) + 1,5A,6,9,9a,9b-hexahydro-4H-dibenzofuran-4a-carbaldehyde (126-15-8) → 4A-hydroxymethyl-1,4,4a,5a,6,9,9a,9b-octahydro-dibenzofuran (4439-80-9)

Guidance literature:

With sodium borate;

upstream raw materials:

furfural

buta-1,3-diene

Downstream raw materials:

4A-hydroxymethyl-1,4,4a,5a,6,9,9a,9b-octahydro-dibenzofuran

decahydro-dibenzofuran-4a-carbaldehyde-(2,4-dinitro-phenylhydrazone)

4A-(2,4-dinitro-benzoyloximethyl)-1,4,4a,5a,6,9,9a,9b-octahydro-dibenzofuran

Refernces

• 1、 -. "Long-acting pyrethrum/pyrethroid based pesticides with silicone stabilizers". . . Retrieved 2008/06/13.