Helional

Base Information

• Chemical Name: Helional
• CAS No.: 1205-17-0
• Molecular Formula: C11H12O3
• Molecular Weight: 192.214
• Hs Code.: 29124990
• European Community (EC) Number: 214-881-6
• NSC Number: 22282
• UNII: L65EG8H6PA
• DSSTox Substance ID: DTXSID7043908
• Nikkaji Number: J217.049C
• Wikipedia: Helional
• Wikidata: Q16511833
• RXCUI: 1376341
• ChEMBL ID: CHEMBL3183457
• Mol file: 1205-17-0.mol

Synonyms:alpha-methyl-3,4-methylene-dioxyhydrocinnamic aldehyde;MMDHCA cpd

Chemical Property of Helional

Chemical Property:

• Appearance/Colour: clear yellow liquid
• Vapor Pressure: 0.0027mmHg at 25°C
• Melting Point: 94oC
• Refractive Index: n20/D 1.5335(lit.)
• Boiling Point: 286 °C at 760 mmHg
• Flash Point: 117.6 °C
• PSA: 35.53000
• Density: 1.162 g/cm³
• LogP: 1.79280
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Water Solubility.: 934mg/L at 20℃
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 192.078644241
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

98%min ^*data from raw suppliers

2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehyde >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC1=CC2=C(C=C1)OCO2)C=O
• Uses: 2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal is an aromatic aldehyde that was used in the investigation of human olfactory receptor 17-40 as an active part of a nanobiosensor.

Technology Process of Helional

There total 27 articles about Helional 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: 95.6%

C11H9ClO3 → helional (1205-17-0)

Guidance literature:

With hydrogen; sodium carbonate; triethylamine; 5%-palladium/activated carbon; In water; at 95 ℃; for 12h; under 4500.45 Torr; Product distribution / selectivity;

Reference yield: 82.0%

1,2-(methylenedioxy)-4-bromobenzene (2635-13-4) + 3-hydroxy-2-methyl-1-propene (513-42-8) → helional (1205-17-0)

Guidance literature:

With sodium carbonate; tri tert-butylphosphoniumtetrafluoroborate; palladium diacetate; In 1-methyl-pyrrolidin-2-one; water; at 130 ℃; for 24h;

DOI:10.1016/j.tet.2007.11.019

Reference yield: 58.0%

1-allyl-3,4-methylenedioxybenzene (94-59-7) + carbon monoxide (201230-82-2) → helional (1205-17-0) + isosafrole (120-58-1) + 5,6-dihydro-naphtho[2,3-d][1,3]dioxole

Guidance literature:

With acetylacetonatodicarbonylrhodium(l); phosphoric acid; hydrogen; 3,9-bis(2,4-di-tert-butylphenoxy)-2,4,8,10-tetra-oxa-3,9-diphosphaspiro[5.5]-undecane; methoxybenzene; In dichloromethane; at 110 ℃; for 6h; under 15514.9 Torr; chemoselective reaction; Autoclave;

DOI:10.1016/j.catcom.2010.02.014

upstream raw materials:

Methylenedioxybenzene

2-methylpropenal

1,2-(methylenedioxy)-4-bromobenzene

3-hydroxy-2-methyl-1-propene

Downstream raw materials:

(Z)-4-methyl-5-(3,4-methylenedioxyphenyl)-2-phenyl-2-pentene

(E)-4-methyl-5-(3,4-methylenedioxyphenyl)-2-phenyl-2-pentene

(E)-3-(benzo[d][1,3]dioxol-6-yl)-2-methylacrylaldehyde

1-(benzo[d][1,3]dioxol-5-yl)propane-1,2-dione

Refernces

• 1、 Melean, Luis G.,Rodriguez, Mariandry,Romero, Marynell,Alvarado, Maria L.,Rosales, Merlin,Baricelli, Pablo J.. "Biphasic hydroformylation of substituted allylbenzenes with water-soluble rhodium or ruthenium complexes". . p. 117 - 123. Retrieved 2011.
• 2、 Scrivanti, Alberto,Bertoldini, Matteo,Beghetto, Valentina,Matteoli, Ugo. "Arylation of β-methallyl alcohol catalyzed by Pd(OAc)2 in combination with P(t-Bu)3: application to fragrance synthesis". . p. 543 - 548. Retrieved 2008.
• 3、 Ke, Lei,Zhu, Guirong,Qian, Hui,Xiang, Guangya,Chen, Qin,Chen, Zhilong. "Catalytic Selective Oxidative Coupling of Secondary N-Alkylanilines: An Approach to Azoxyarene". supporting information. p. 4008 - 4013. Retrieved 2019/06/04.