(Z)-2-methyl-3-phenylprop-2-en-1-ol

Base Information

• Chemical Name: (Z)-2-methyl-3-phenylprop-2-en-1-ol
• CAS No.: 1504-55-8
• Molecular Formula: C10H12 O
• Molecular Weight: 148.205
• Hs Code.: 2906299090
• Nikkaji Number: J1.507.082J
• Mol file: 1504-55-8.mol

Synonyms:(Z)-2-methyl-3-phenylprop-2-en-1-ol;2-Propen-1-ol, 2-methyl-3-phenyl-;.alpha.-Methylcinnamyl alcohol;tetrabutylammoniumnitrate;.alpha.-Methylcinnamic alcohol;SCHEMBL5078610;LLNAMUJRIZIXHF-CLFYSBASSA-N;Cinnamyl alcohol, .alpha.-methyl-;1-Phenyl-2-methylprop-1-ene-3-ol;(Z)-2-Methyl-3-phenyl-prop-2-en-1-ol

Chemical Property of (Z)-2-methyl-3-phenylprop-2-en-1-ol

Chemical Property:

• Vapor Pressure: 0.00107mmHg at 25°C
• Melting Point: 24-25 °C(Solv: ligroine (8032-32-4))
• Refractive Index: n20/D 1.572(lit.)
• Boiling Point: 268.8°Cat760mmHg
• PKA: 14?+-.0.10(Predicted)
• Flash Point: 122.5°C
• PSA: 20.23000
• Density: 1.023g/cm³
• LogP: 2.08220
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 148.088815002
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

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

2-Methyl-3-phenyl-2-propen-1-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=CC1=CC=CC=C1)CO
• Isomeric SMILES: C/C(=C/C1=CC=CC=C1)/CO
• Uses: trans-2-Methyl-3-phenyl-2-propen-1-ol was used in the preparation of 5-methyl-4-phenyl-5-hexen-2-one.

Technology Process of (Z)-2-methyl-3-phenylprop-2-en-1-ol

There total 69 articles about (Z)-2-methyl-3-phenylprop-2-en-1-ol 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: 98.0%

2-methyl-3-phenylacrylic acid (1895-97-2) → (E)-3-phenyl-2-methyl-2-propenol (1504-55-8,39924-63-5,55131-20-9)

Guidance literature:

With lithium aluminium tetrahydride; aluminium trichloride; In diethyl ether;

DOI:10.1002/anie.200601855

Reference yield: 96.0%

ethyl (E)-2-methyl-3-phenyl-2-propenoate (7042-33-3) → (E)-3-phenyl-2-methyl-2-propenol (1504-55-8,39924-63-5,55131-20-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 10h; Inert atmosphere;

DOI:10.1055/s-0032-1317843

Reference yield: 95.0%

(E)-methyl-2-methyl-3-phenylacrylate (22946-43-6) → (E)-3-phenyl-2-methyl-2-propenol (1504-55-8,39924-63-5,55131-20-9)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 1h;

DOI:10.1021/jo9614250

upstream raw materials:

(2E)-2-methyl-3-phenylallyl acetate

3-Phenyl-2-propyn-1-ol

methyllithium

methylmagnesium bromide

Downstream raw materials:

3-phenylcarbamoyloxy-2-methyl-1t-phenyl-propene

(1S,2S) /(1R,2R)-2-methyl-1-phenylpropane-1,3-diol

(3-chloro-2-methyl-1-propenyl)benzene

Methyl-carbamic acid (E)-2-methyl-3-phenyl-allyl ester

Refernces

• 1、 Balcells, Sandra,Haughey, Maxwell B.,Walker, Johannes C. L.,Josa-Culleré, Laia,Towers, Christopher,Donohoe, Timothy J.. "Asymmetric Total Synthesis of (-)-(3 R)-Inthomycin C". . p. 3583 - 3586. Retrieved 2018.
• 2、 Yu, Hongbo,Zhao, Jihao,Wu, Chunzheng,Yan, Bo,Zhao, Shuangliang,Yin, Hongfeng,Zhou, Shenghu. "Highly Efficient Ir-CoOX Hybrid Nanostructures for the Selective Hydrogenation of Furfural to Furfuryl Alcohol". . p. 1894 - 1901. Retrieved 2021.
• 3、 Liu, Qinglin,Liu, Qian,Chen, Yurong,Li, Yinle,Su, Hui,Liu, Qinghua,Li, Guangqin. "Ir nanoclusters confined within hollow MIL-101(Fe) for selective hydrogenation of α,β-unsaturated aldehyde". supporting information. p. 374 - 377. Retrieved 2021/08/13.
• 4、 Ruiz-Casta?eda, Margarita,Santos, Lucía,Manzano, Blanca R.,Espino, Gustavo,Jalón, Félix A.. "A Water/Toluene Biphasic Medium Improves Yields and Deuterium Incorporation into Alcohols in the Transfer Hydrogenation of Aldehydes". . p. 1358 - 1372. Retrieved 2021/03/16.