1-(4-Chlorophenyl)-3-buten-1-ol

Base Information

• Chemical Name: 1-(4-Chlorophenyl)-3-buten-1-ol
• CAS No.: 14506-33-3
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.65
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID30374029
• Nikkaji Number: J305.738K
• Mol file: 14506-33-3.mol

Synonyms:14506-33-3;1-(4-Chlorophenyl)-3-buten-1-ol;1-(4-chlorophenyl)but-3-en-1-ol;4-(4-Chlorophenyl)-1-buten-4-ol;1-(4-CHLOROPHENYL)-3-BUTEN-1-OL 97;Benzenemethanol,4-chloro-a-2-propen-1-yl-;SCHEMBL867450;DTXSID30374029;4-Chloro-alpha-allylbenzyl alcohol;4-(4-chlorophenyl)but-1-en-4-ol;MFCD03427246;1-(4-chlorophenyl)-but-3-en-1-ol;AKOS010638320;SB84853;AS-77376;1-(4-Chlorophenyl)-3-buten-1-ol, 97%;Benzenemethanol, 4-chloro-a-2-propen-1-yl-;CS-0204386;EN300-375826;Benzenemethanol, 4-chloro-alpha-2-propen-1-yl-;J-008044;3H-1,2,4-Triazole-3-thione,1,2-dihydro-5-propyl-(9CI)

Chemical Property of 1-(4-Chlorophenyl)-3-buten-1-ol

Chemical Property:

• Vapor Pressure: 0.00169mmHg at 25°C
• Refractive Index: n20/D 1.5440(lit.)
• Boiling Point: 281.5 °C at 760 mmHg
• PKA: 14.02±0.20(Predicted)
• Flash Point: 124 °C
• PSA: 20.23000
• Density: 1.137 g/cm³
• LogP: 2.94950
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 182.0498427
• Heavy Atom Count: 12
• Complexity: 139

Purity/Quality:

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

1-(4-Chlorophenyl)but-3-en-1-ol 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCC(C1=CC=C(C=C1)Cl)O

Technology Process of 1-(4-Chlorophenyl)-3-buten-1-ol

There total 93 articles about 1-(4-Chlorophenyl)-3-buten-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: 99.0%

4-chlorobenzaldehyde (104-88-1) + 3-chloroprop-1-ene (107-05-1) → 1-(4-chlorophenyl)but-3-en-1-ol (14506-33-3)

Guidance literature:

With 1,3-dimethyl-2-imidazolidinone; tin(IV) iodide; sodium iodide; at 20 ℃; for 24h;

DOI:10.1016/j.tetlet.2005.02.113

Reference yield: 99.0%

allyltributylstanane (24850-33-7) + 4-chlorobenzaldehyde (104-88-1) → 1-(4-chlorophenyl)but-3-en-1-ol (14506-33-3)

Guidance literature:

With 4-nitro-benzoic acid; In acetonitrile; at 25 ℃; for 11h;

DOI:10.1021/jo050186q

Reference yield: 99.0%

4-chlorobenzaldehyde (104-88-1) + allyl alcohol (107-18-6) → 1-(4-chlorophenyl)but-3-en-1-ol (14506-33-3)

Guidance literature:

With chloro(1,5-cyclooctadiene)rhodium(I) dimer; tin(ll) chloride; In tetrahydrofuran; water; at 50 ℃; for 11h;

DOI:10.1016/j.tetlet.2004.10.051

upstream raw materials:

4-chlorobenzaldehyde

allyl bromide

4-(p-Chlorphenyl)-4-(triethylstannyloxy)-but-1-en

allyl iodid

Downstream raw materials:

(S)-1-(4-chlorophenyl)-but-3-en-1-ol

(2S,4R,6S)-2-[2-(4-Benzyloxy-phenyl)-ethyl]-4-bromo-6-(4-chloro-phenyl)-tetrahydro-pyran

p-chlorophenyl-3-butenyl ether

1-chloro-4-(1-methoxybut-3-enyl)benzene

Refernces

• 1、 Wada, Makoto,Ohki, Hidenori,Akiba, Kin-ya. "Bismuth(III) Chloride-Aluminium-promoted Allylation of Aldehydes to Homoallylic Alcohols in Aqueous Solvent". . p. 708 - 709. Retrieved 1987.
• 2、 Kondo, Teruyuki,Akazome, Motohiro,Watanabe, Yoshihisa. "Lanthanide(II) Iodide Catalysed Photochemical Allylation of Aldehydes with Allylic Halides". . p. 757 - 758. Retrieved 1991.
• 3、 Kundu, M.,Mandal, S. P.,Mondal, B.,Roy, U. K.. "Indium(I)/CuFe2O4 Reagent for Allylation of Carbonyls and Epoxide Rearranged Carbonyls". . p. 2189 - 2196. Retrieved 2020.
• 4、 Li, Hui,Dong, Fuxing,Xiong, Mingwen,Li, Hexing,Li, Ping,Zhou, Xinggui. "A novel indium-boron amorphous alloy mediator for barbier-type carbonyl allylation in aqueous medium". . p. 2131 - 2136. Retrieved 2011.
• 5、 Fu, Xiao-Yang,Si, Ya-Feng,Qiao, Li-Peng,Zhao, Yu-Fen,Chen, Xiao-Lan,Yu, Bing. "Visible Light-Promoted Recyclable Carbon Nitride-Catalyzed Dioxygenation of β,γ-Unsaturated Oximes". supporting information. p. 574 - 580. Retrieved 2021/11/13.
• 6、 Gualandi, Andrea,Rodeghiero, Giacomo,Perciaccante, Rossana,Jansen, Thomas Paul,Moreno-Cabrerizo, Cristina,Foucher, Charles,Marchini, Marianna,Ceroni, Paola,Cozzi, Pier Giorgio. "Catalytic Photoredox Allylation of Aldehydes Promoted by a Cobalt Complex". supporting information. p. 1105 - 1111. Retrieved 2021/01/04.