1-[4-(Propan-2-yl)phenyl]but-3-en-1-ol

Base Information

• Chemical Name: 1-[4-(Propan-2-yl)phenyl]but-3-en-1-ol
• CAS No.: 5416-56-8
• Molecular Formula: C13H18O
• Molecular Weight: 190.285
• NSC Number: 15702,6840
• DSSTox Substance ID: DTXSID60278263
• Mol file: 5416-56-8.mol

Synonyms:5416-56-8;1-[4-(propan-2-yl)phenyl]but-3-en-1-ol;4-(4-iso-Propylphenyl)-1-buten-4-ol;1-(4-ISOPROPYLPHENYL)BUT-3-EN-1-OL;NSC6840;starbld0035941;DTXSID60278263;NSC 6840;NSC-6840;NSC15702;NSC 15702;NSC-15702;AKOS010638334;CS-0267221;EN300-375854

Chemical Property of 1-[4-(Propan-2-yl)phenyl]but-3-en-1-ol

Chemical Property:

• Vapor Pressure: 0.00118mmHg at 25°C
• Boiling Point: 287.1°Cat760mmHg
• Flash Point: 114.1°C
• Density: 0.957g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-[4-(Propan-2-yl)phenyl]but-3-en-1-ol

There total 4 articles about 1-[4-(Propan-2-yl)phenyl]but-3-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: 87.0%

allyl bromide (106-95-6) + (4-isopropylbenzaldehyde) (122-03-2) → 1-(4-isopropylphenyl)-3-buten-1-ol (5416-56-8)

Guidance literature:

With gallium; 1-n-butyl-3-methylimidazolim bromide; at 20 ℃; for 5h;

DOI:10.1021/jo3020775

Reference yield: 83.0%

Allyl acetate (591-87-7) + (4-isopropylbenzaldehyde) (122-03-2) → 1-(4-isopropylphenyl)-3-buten-1-ol (5416-56-8)

Guidance literature:

With [Rh(TMEDA)(CO₂)][Rh(Cl)2(CO)2]; carbon monoxide; cesium carbonate hydrate; In tetrahydrofuran; at 100 ℃; for 24h; under 7500.75 Torr; Autoclave;

DOI:10.1021/jo902706p

Reference yield: 72.0%

allyltributylstanane (24850-33-7) + (4-isopropylbenzaldehyde) (122-03-2) → 1-(4-isopropylphenyl)-3-buten-1-ol (5416-56-8)

Guidance literature:

With copper(II)/magnesium-lanthanum mixedoxide; In acetonitrile; at 65 ℃; for 5h;

DOI:10.1002/adsc.201901133

upstream raw materials:

(4-isopropylbenzaldehyde)

allylmagnesium bromide

Allyl acetate

allyl bromide

Downstream raw materials:

(E)-N-(4-(4-isopropylphenyl)but-3-en-2-yl)-1-methylbenzenesulfonamide

3-hydroxy-3-(4-isopropyl-phenyl)-propionic acid