2-Ethylpent-4-enoyl chloride

Base Information

• Chemical Name: 2-Ethylpent-4-enoyl chloride
• CAS No.: 85622-00-0
• Molecular Formula: C7H11ClO
• Molecular Weight: 146.617
• NSC Number: 166698
• DSSTox Substance ID: DTXSID60304652
• Mol file: 85622-00-0.mol

Synonyms:85622-00-0;2-ethylpent-4-enoyl chloride;NSC166698;4-Pentenoyl chloride, 2-ethyl-;DTXSID60304652;NSC-166698

Chemical Property of 2-Ethylpent-4-enoyl chloride

Chemical Property:

• Vapor Pressure: 2.43mmHg at 25°C
• Boiling Point: 160°C at 760 mmHg
• Flash Point: 56.1°C
• Density: 0.99g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 146.0498427
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC=C)C(=O)Cl

Technology Process of 2-Ethylpent-4-enoyl chloride

There total 3 articles about 2-Ethylpent-4-enoyl chloride 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-ethyl-pent-4-enoic acid (1575-73-1) → 2-Ethyl-pent-4-enoyl chloride (85622-00-0)

Guidance literature:

With oxalyl dichloride; In dichloromethane; 1.) 0 deg C, 1 h, 2.) 20 deg C, 1 h;

DOI:10.1021/jo00275a029

Reference yield:

methyl 2-ethyl-4-pentenoate (42998-02-7) → 2-Ethyl-pent-4-enoyl chloride (85622-00-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / sodium hydroxide, water / 2 h / Heating

2: 100 percent / oxalyl chloride / CH₂Cl₂ / 1.) 0 deg C, 1 h, 2.) 20 deg C, 1 h

With sodium hydroxide; oxalyl dichloride; water; In dichloromethane;

DOI:10.1021/jo00275a029

Reference yield:

oxalyl dichloride (79-37-8) + 2-ethyl-pent-4-enoic acid (1575-73-1) → 2-Ethyl-pent-4-enoyl chloride (85622-00-0)

Guidance literature:

at 20 ℃; for 10h;

DOI:10.1021/jo00346a034

upstream raw materials:

oxalyl dichloride

2-ethyl-pent-4-enoic acid

methyl 2-ethyl-4-pentenoate

Downstream raw materials:

(±)-vincadifformine

N^b-benzyl-21-<(tert-butyldimethylsilyl)oxy>-D-seco-Ψ-vincadifformine

N^b-benzyl-21-<(tert-butyldimethylsilyl)oxy>-D-seco-Ψ-vincadifformine

(S)-3-Benzyl-4-((R)-2-hydroxymethyl-butyl)-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylic acid methyl ester