Boronal

Base Information

• Chemical Name: Boronal
• CAS No.: 3155-71-3
• Molecular Formula: C14H22 O
• Molecular Weight: 206.328
• Hs Code.: 2912299000
• European Community (EC) Number: 221-597-6
• UNII: FM3V4NH1Y6
• Nikkaji Number: J217.311E,J820.379B
• Wikidata: Q27278063
• Mol file: 3155-71-3.mol

Synonyms:BORONAL;3155-71-3;beta-C14 Aldehyde;beta-C14-Aldehyde;2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-;UNII-FM3V4NH1Y6;FM3V4NH1Y6;EINECS 221-597-6;2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-;2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal;14398-40-4;SCHEMBL110933;SCHEMBL113634;FJCQUJKUMKZEMH-YRNVUSSQSA-N;AKOS015955813;Q27278063;2-Methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal;(E)-2-Methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-2-butenal;(E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-enyl)but-2-enal;2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)-2-butenal;2-METHYL-4-(2,6,6-TRIMETHYLCYCLOHEXENYL)-2-BUTENAL;(2E)-2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal #;1-CYCLOHEXENE-1-CROTONALDEHYDE, .ALPHA.,2,6,6-TETRAMETHYL-, (E)-;2-Butenal, 2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)-;2 - methyl - 4 - (2,6,6 - trimethyl - 1 - cyclohexen - 1 - yl) - 2 - butenal;2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTENAL, (2E)-

Chemical Property of Boronal

Chemical Property:

• Appearance/Colour: Colourless to Pale Yellow Liquid
• Vapor Pressure: 0.00147mmHg at 25°C
• Melting Point: 1-2 °C
• Boiling Point: 296.1 °C at 760 mmHg
• Flash Point: 129 °C
• PSA: 17.07000
• Density: 0.889 g/cm³
• LogP: 4.04830
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 305

Purity/Quality:

98.5% ^*data from raw suppliers

Boronal,90-100%(GC) 90-100%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(CCC1)(C)C)CC=C(C)C=O
• Isomeric SMILES: CC1=C(C(CCC1)(C)C)C/C=C(\C)/C=O

Technology Process of Boronal

There total 22 articles about Boronal 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: 98.1%

2,2,6-trimethylcyclohexan-1-one (2408-37-9) + 2-methyl-4-triphenylphosphino-2-butenal ethylene acetal bromide → 2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)-2-butenal (3155-71-3)

Guidance literature:

With sodium ethanolate; In tetrahydrofuran; at 10 - 25 ℃; for 4h; Inert atmosphere;

Reference yield: 92.7%

2,2,6-trimethylcyclohexan-1-one (2408-37-9) + 2-methyl-4-bromo-2-butenal ethylene acetal → 2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)-2-butenal (3155-71-3)

Guidance literature:

2-methyl-4-bromo-2-butenal ethylene acetal; With iodine; magnesium; In tetrahydrofuran; at 30 - 40 ℃; for 3.25h; Inert atmosphere;

2,2,6-trimethylcyclohexan-1-one; In tetrahydrofuran; at 10 - 30 ℃; for 3h; Inert atmosphere;

Reference yield: 91.7%

2-methyl-4-bromo-2-butenal dimethyl acetal (164293-05-4) + 2,2,6-trimethylcyclohexan-1-one (2408-37-9) → 2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)-2-butenal (3155-71-3)

Guidance literature:

2-methyl-4-bromo-2-butenal dimethyl acetal; With iodine; magnesium; In tetrahydrofuran; at 30 - 40 ℃; for 3.25h; Inert atmosphere;

2,2,6-trimethylcyclohexan-1-one; In tetrahydrofuran; at 10 - 25 ℃; for 3h; Temperature; Inert atmosphere;

upstream raw materials:

(RS)-(E)-2-methyl-4-(2',6',6'-trimethyl-1'-cyclohexenyl)-3-butenal

1ξ-acetoxy-2-methyl-4t-(2,6,6-trimethyl-cyclohex-1-enyl)-buta-1,3-diene

(E)-β-ionone

methyl chloroacetate

Downstream raw materials:

2Z,7E-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,7-nonadiene-4-yne-1,6-diol

[2-methyl-4-(2,6,6-trimethyl-cyclohex-1-enyl)-butyl]-[4-(2-piperidino-ethoxy)-benzyl]-amine

2-methyl-4-(2,6,6-trimethyl-cyclohex-2-enylidene)-crotonaldehyde diethylacetal

4-methyl-6-((Ξ)-2,6,6-trimethyl-cyclohex-2-enylidene)-hexa-2ξ!,4ξ!-dienal; liquid substance

Refernces

• 1、 -. "Preparation method of 2-methyl-4-(2, 6, 6-trimethylcyclohexene-1-yl)-2-butenal". Paragraph 0066; 0098-0099. . Retrieved 2020/08/18.
• 2、 -. "PROCESS FOR THE PRODUCTION OF 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTENAL". Page/Page column 11. . Retrieved 2019/11/04.