2-Propenal, 3-methyl-3-phenyl-

Base Information

• Chemical Name: 2-Propenal, 3-methyl-3-phenyl-
• CAS No.: 1196-67-4
• Molecular Formula: C10H10 O
• Molecular Weight: 146.189
• Hs Code.: 2912299000
• Nikkaji Number: J83.104B
• Mol file: 1196-67-4.mol

Synonyms:2-Propenal, 3-methyl-3-phenyl-;2-Butenal, 3-phenyl-;(E)-3-phenylbut-2-enal;beta-Methylcinnamaldehyde;1196-67-4;beta-Methyl cinnamic aldehyde;BRN 2040090;3-phenylbut-2-enal;(E)-3-Phenyl-2-butenal;(E)-beta-methylcinnamaldehyde;CINNAMALDEHYDE, beta-METHYL-;21866-70-6;4-07-00-01011 (Beilstein Handbook Reference);2-Butenal, 3-phenyl- (9CI);.beta.-Methylcinnamaldehyde;(E)-3-phenyl-but-2-enal;SCHEMBL186779;SCHEMBL566341;.beta.-Methyl cinnamic aldehyde;Cinnamaldehyde, .beta.-methyl-;(2E)-3-Phenyl-2-butenal #;IEARORYJISZKGK-VQHVLOKHSA-;(2E)-3-PHENYLBUT-2-ENAL;LS-53832;InChI=1/C10H10O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-8H,1H3/b9-7+

Chemical Property of 2-Propenal, 3-methyl-3-phenyl-

Chemical Property:

• Vapor Pressure: 0.0243mmHg at 25°C
• Melting Point: 95°C
• Refractive Index: 1.5876 (estimate)
• Boiling Point: 248.4°Cat760mmHg
• Flash Point: 88.2°C
• PSA: 17.07000
• Density: 0.99g/cm³
• LogP: 2.28880
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC=O)C1=CC=CC=C1
• Isomeric SMILES: C/C(=C\C=O)/C1=CC=CC=C1

Technology Process of 2-Propenal, 3-methyl-3-phenyl-

There total 130 articles about 2-Propenal, 3-methyl-3-phenyl- 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: 83.0%

3-phenylbut-2-en-1-ol (54976-37-3,54976-38-4,1504-54-7) → 3-phenyl-2-butenal (1196-67-4)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 ℃; for 0.75h; Inert atmosphere;

DOI:10.1021/ol3026457

Reference yield: 68.0%

trans-Crotonaldehyde (123-73-9,4170-30-3) + iodobenzene (591-50-4) → 3-phenyl-2-butenal (1196-67-4)

Guidance literature:

With tetrabutyl-ammonium chloride; sodium acetate; palladium diacetate; In 1-methyl-pyrrolidin-2-one; at 90 ℃;

DOI:10.1055/s-2008-1032095

Reference yield: 65.0%

2,3-Dihydro-5-methyl-5-phenyl-1,4-dioxepin → 3-phenyl-2-butenal (1196-67-4)

Guidance literature:

With hydrogenchloride; water; In tetrahydrofuran; for 5h; Heating;

DOI:10.1002/(SICI)1521-3765(19980904)4:9<1738::AID-CHEM1738>3.0.CO;2-P

upstream raw materials:

1,1,3-triethoxy-3-phenylbutane

3-phenylbut-2-en-1-ol

isopropenylbenzene

3-oxobutyraldehyde

Downstream raw materials:

C₁₈H₁₆O₂

1-[(1Z)-1-methyl-1,3-butadienyl]benzene

1-[(1E)-1-methyl-1,3-butadienyl]benzene

(E)-N-(tert-butyl)-2-oxo-4-phenylpent-3-enamide

Refernces

• 1、 Deng, Kejian,Huang, Fei,Wang, Duoyuan,Peng, Zhenghe,Zhou, Yunhong. "A novel catalyst iron(II) tetra(1,4-dithin)porphyrazine for oxygenating degradation of organic pollutants in aqueous solutions". . p. 34 - 35. Retrieved 2004.
• 2、 Petroski, Richard J.,Vermillion, Karl,Cosse, Allard A.. "Two-carbon homologation of aldehydes and ketones to α,β- unsaturated aldehydes". . p. 5062 - 5078. Retrieved 2011.
• 3、 Schmidle,Barnett. "-". . p. 3209. Retrieved 1956.
• 4、 -. "Method for preparing olefine aldehyde through catalytic oxidation of enol ether". Paragraph 0082-0086; 0088. . Retrieved 2021/06/23.
• 5、 Wu, Qiuyue,Dong, Ziyang,Xu, Jiaxi,Yang, Zhanhui. "Sulfur-controlled and rhodium-catalyzed formal (3 + 3) transannulation of thioacyl carbenes with alk-2-enals and mechanistic insights". supporting information. p. 3173 - 3180. Retrieved 2021/04/21.