2-Vinyl-1-pentanol

Base Information

• Chemical Name: 2-Vinyl-1-pentanol
• CAS No.: 1830-48-4
• Molecular Formula: C7H14O
• Molecular Weight: 114.188
• European Community (EC) Number: 605-987-7
• DSSTox Substance ID: DTXSID201315113
• Nikkaji Number: J899.409I
• Mol file: 1830-48-4.mol

Synonyms:2-vinylpentan-1-ol;2-Vinyl-1-pentanol;2-Ethenyl-1-pentanol;1830-48-4;SCHEMBL2398492;GXMPMRZCNBFEAH-UHFFFAOYSA-N;DTXSID201315113

Chemical Property of 2-Vinyl-1-pentanol

Chemical Property:

• Vapor Pressure: 1.052mmHg at 25°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 114.104465066
• Heavy Atom Count: 8
• Complexity: 59.4

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(CO)C=C

Technology Process of 2-Vinyl-1-pentanol

There total 3 articles about 2-Vinyl-1-pentanol 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: 54.0%

2,2-dimethyl-4,7-dihydro-1,3-dioxepin (1003-83-4) + n-propylmagnesium bromide (927-77-5) → (E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + (E)-5-decene (7433-56-9) + hept-2-en-1-ol (22104-77-4) + 2-propyl-3-buten-1-ol (1830-48-4)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In diethyl ether; for 3h; Ambient temperature;

Reference yield:

2-methyl-4,7-dihydro-1,3-dioxepine (7045-86-5) + n-propylmagnesium bromide (927-77-5) → (E/Z)-2-buten-1-ol (6117-91-5,542-72-3) + (E)-5-decene (7433-56-9) + hept-2-en-1-ol (22104-77-4) + 2-propyl-3-buten-1-ol (1830-48-4)

Guidance literature:

With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride; In diethyl ether; for 4h; Ambient temperature;

Reference yield:

2-methyl-4,7-dihydro-1,3-dioxepine (7045-86-5) + n-propylmagnesium bromide (927-77-5) → (E)-5-decene (7433-56-9) + (Z)-hept-2-en-1-ol (55454-22-3) + (E)-hept-2-en-1-ol (33467-76-4) + 2-propyl-3-buten-1-ol (1830-48-4)

Guidance literature:

1,2-bis(diphenylphosphino)ethane nickel(II) chloride; for 4h; Yield given. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts; Ambient temperature;

upstream raw materials:

2,2-dimethyl-4,7-dihydro-1,3-dioxepin

n-propylmagnesium bromide

2-methyl-4,7-dihydro-1,3-dioxepine

Downstream raw materials:

C₂₅H₃₂O₃

C₂₅H₃₃BrO₃

2-(4-benzyloxy-3-fluorophenyl)-4-bromo-5-propyltetrahydropyran

Refernces

• 1、 Menicagli, Rita,Malanga, Corrado,Finato, Barbara,Lardicci, Luciano. "NICKEL(II)-CATALYZED ALKYLATION OF 2-METHYL-1,3-DIOXEP-4-ENE BY GRIGNARD REAGENTS: AN EFFICIENT AND SELECTIVE ROUTE TO ALLYLIC ALCOHOLS". . p. 69 - 70. Retrieved 2007/10/02.