1-(2-Chlorophenyl)-3-buten-1-ol

Base Information

• Chemical Name: 1-(2-Chlorophenyl)-3-buten-1-ol
• CAS No.: 24165-66-0
• Molecular Formula: C10H11ClO
• Molecular Weight: 182.65
• Hs Code.: 2906299090
• NSC Number: 404643
• DSSTox Substance ID: DTXSID00323680
• Nikkaji Number: J1.126.957E
• Mol file: 24165-66-0.mol

Synonyms:1-(2-chlorophenyl)but-3-en-1-ol;24165-66-0;1-(2-Chlorophenyl)-3-buten-1-ol;NSC 404643;NSC404643;SCHEMBL5322206;DTXSID00323680;2-Chloro-alpha-allylbenzyl alcohol;MFCD03427116;AKOS011379180;NSC-404643;1-(2-Chlorophenyl)-3-buten-1-ol, 97%;CS-0267226;FT-0717080;EN300-375810;F14511;A817121;J-015376

Chemical Property of 1-(2-Chlorophenyl)-3-buten-1-ol

Chemical Property:

• Vapor Pressure: 0.00282mmHg at 25°C
• Melting Point: 31-35 °C(lit.)
• Refractive Index: 1.55
• Boiling Point: 273.3 °C at 760mmHg
• PKA: 13.85±0.20(Predicted)
• Flash Point: 119.1 °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: 147

Purity/Quality:

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

1-(2-Chlorophenyl)-3-buten-1-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCC(C1=CC=CC=C1Cl)O

Technology Process of 1-(2-Chlorophenyl)-3-buten-1-ol

There total 18 articles about 1-(2-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: 100.0%

2-chloro-benzaldehyde (89-98-5) + allyl bromide (106-95-6) → 1-(2-chlorophenyl)but-3-en-1-ol (24165-66-0)

Guidance literature:

With copper; tin(ll) chloride; In water; at 20 ℃; for 3h;

DOI:10.1016/S0040-4039(02)02370-5

Reference yield: 100.0%

2-chloro-benzaldehyde (89-98-5) + 3-chloroprop-1-ene (107-05-1) → 1-(2-chlorophenyl)but-3-en-1-ol (24165-66-0)

Guidance literature:

With copper; tin(ll) chloride; In water; at 20 ℃; for 3h;

DOI:10.1016/S0040-4039(02)02370-5

Reference yield: 97.0%

allyltributylstanane (24850-33-7) + 2-chloro-benzaldehyde (89-98-5) → 1-(2-chlorophenyl)but-3-en-1-ol (24165-66-0)

Guidance literature:

With magnesium bis(trifluoromethane solfonyl)imide; In water; at 20 ℃; for 1h;

DOI:10.1080/00397910902978056

upstream raw materials:

2-chloro-benzaldehyde

allyl bromide

allyltributylstanane

allylmagnesium bromide

Downstream raw materials:

1-Phenyl-3-buten-1-ol

2,3-dihydro-3-methyl-1H-inden-1-ol

(E)-1-chloro-2-(3-methoxybut-1-enyl)benzene

4-(2-chlorophenyl)-2-methyl-4-oxobutanenitrile

Refernces

• 1、 Potenti, Simone,Gualandi, Andrea,Puggioli, Alessio,Fermi, Andrea,Bergamini, Giacomo,Cozzi, Pier Giorgio. "Photoredox Allylation Reactions Mediated by Bismuth in Aqueous Conditions". supporting information. p. 1624 - 1627. Retrieved 2021/02/05.
• 2、 Beleh, Omar M.,Miller, Edward,Toste, F. Dean,Miller, Scott J.. "Catalytic Dynamic Kinetic Resolutions in Tandem to Construct Two-Axis Terphenyl Atropisomers". supporting information. p. 16461 - 16470. Retrieved 2020/10/26.