3-Furancarbonyl chloride, 4,5-dihydro-5-(1-methylethenyl)-

Base Information

• Chemical Name: 3-Furancarbonyl chloride, 4,5-dihydro-5-(1-methylethenyl)-
• CAS No.: 198023-76-6
• Molecular Formula: C₈H₉ClO₂
• Molecular Weight: 172.611
• DSSTox Substance ID: DTXSID70445641
• Mol file: 198023-76-6.mol

Synonyms:198023-76-6;3-FURANCARBONYL CHLORIDE, 4,5-DIHYDRO-5-(1-METHYLETHENYL)-;3-Furancarbonyl chloride, 4,5-dihydro-5-(1-methylethenyl)- (9CI);2-prop-1-en-2-yl-2,3-dihydrofuran-4-carbonyl chloride;DTXSID70445641;COWJXWVNSKPSDE-UHFFFAOYSA-N

Chemical Property of 3-Furancarbonyl chloride, 4,5-dihydro-5-(1-methylethenyl)-

Chemical Property:

• PSA: 26.30000
• LogP: 2.00070
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.0291072
• Heavy Atom Count: 11
• Complexity: 230

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=C)C1CC(=CO1)C(=O)Cl

Technology Process of 3-Furancarbonyl chloride, 4,5-dihydro-5-(1-methylethenyl)-

There total 5 articles about 3-Furancarbonyl chloride, 4,5-dihydro-5-(1-methylethenyl)- 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:

5-isopropenyl-4,5-dihydrofuran-3-carboxylic acid (198023-66-4) → 5-Isopropenyl-4,5-dihydro-furan-3-carbonyl chloride (198023-76-6)

Guidance literature:

With thionyl chloride; In chloroform; benzene;

DOI:10.1002/jhet.5570340439

Reference yield:

(E)-1,4-dibromo-2-methylbut-2-ene (16526-19-5) → 5-Isopropenyl-4,5-dihydro-furan-3-carbonyl chloride (198023-76-6)

Guidance literature:

Multi-step reaction with 5 steps

1: 58 percent / K₂CO₃ / acetone / 8 h / Ambient temperature

2: 81 percent / 1.4percent aq. NaOH / 24 h / Ambient temperature

3: 25 percent / 200 °C / 100 Torr

4: 86 percent / 5percent aq. NaOH / 20 h / Ambient temperature

5: thionyl chloride / benzene; CHCl₃

With sodium hydroxide; thionyl chloride; potassium carbonate; In chloroform; acetone; benzene;

DOI:10.1002/jhet.5570340439

Reference yield:

5-Isopropenyl-4,5-dihydro-furan-3-carboxylic acid ethyl ester (198023-65-3) → 5-Isopropenyl-4,5-dihydro-furan-3-carbonyl chloride (198023-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 86 percent / 5percent aq. NaOH / 20 h / Ambient temperature

2: thionyl chloride / benzene; CHCl₃

With sodium hydroxide; thionyl chloride; In chloroform; benzene;

DOI:10.1002/jhet.5570340439

upstream raw materials:

5-isopropenyl-4,5-dihydrofuran-3-carboxylic acid

(E)-1,4-dibromo-2-methylbut-2-ene

5-Isopropenyl-4,5-dihydro-furan-3-carboxylic acid ethyl ester

3-ethoxycarbonyl-5-isopropenyl-4,5-dihydrofuran-2-carboxylic acid